2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene

C220H316Cl7F7N26O4S10 — CID 158947634

IUPAC2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESC=C(c1cncc(C(C)C)c1)N1CCCC1.CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1cc(C#N)cs1.CC(C)c1cc(Cl)cs1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1csc(N2CCOCC2)n1.CC(C)c1csc2c1CCNC2.Cc1cc(C(C)C)c(Cl)s1.Cc1cc(C(C)C)cnc1F.Cc1cc(Cl)ncc1C(C)C.Cc1ccncc1C(C)C.Cc1ccsc1C(C)C.Cc1cnc(Cl)c(C(C)C)c1.Cc1cscc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C14H20N2.C11H17NO.C10H16N2OS.C10H15NS.2C9H12ClN.C9H12FN.2C9H13N.C8H9Cl2N.C8H10ClN.C8H11ClS.C8H9F3S.C8H9F2N.C8H10FN.C8H13NO.C8H9NS.C8H13NS.C8H14O.2C8H12S.C7H9ClS.2C7H12N2.C7H11NS.C6H11N3/c1-11(2)13-8-14(10-15-9-13)12(3)16-6-4-5-7-16;1-8(2)10-6-5-7-12-11(10)13-9(3)4;1-8(2)9-7-14-10(11-9)12-3-5-13-6-4-12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-6(2)8-5-11-9(10)4-7(8)3;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-4-6(3)10-8(7)9;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)8-6(3)10-7(4)9-8;1-6(2)8-3-7(4-9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-5(2)7-3-6(8)4-9-7;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-4-9(3)8-7-6/h8-11H,3-7H2,1-2H3;5-9H,1-4H3;7-8H,3-6H2,1-2H3;6-7,11H,3-5H2,1-2H3;3*4-6H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;3,5-6H,1-2H3;5H,1-4H3;3,7H,4-6H2,1-2H3;2*4-6H,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyJLADOJVPKBLLMS-UHFFFAOYSA-N
MW4090.95 g/mol
LogP70.33
Rot. Bonds31

About 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene

2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 158947634) has the molecular formula C220H316Cl7F7N26O4S10 and a molecular weight of 4090.95 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID158947634
Molecular FormulaC220H316Cl7F7N26O4S10
Molecular Weight4090.95 g/mol
Exact Mass4084.02
IUPAC Name2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESC=C(c1cncc(C(C)C)c1)N1CCCC1.CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1cc(C#N)cs1.CC(C)c1cc(Cl)cs1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1csc(N2CCOCC2)n1.CC(C)c1csc2c1CCNC2.Cc1cc(C(C)C)c(Cl)s1.Cc1cc(C(C)C)cnc1F.Cc1cc(Cl)ncc1C(C)C.Cc1ccncc1C(C)C.Cc1ccsc1C(C)C.Cc1cnc(Cl)c(C(C)C)c1.Cc1cscc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C14H20N2.C11H17NO.C10H16N2OS.C10H15NS.2C9H12ClN.C9H12FN.2C9H13N.C8H9Cl2N.C8H10ClN.C8H11ClS.C8H9F3S.C8H9F2N.C8H10FN.C8H13NO.C8H9NS.C8H13NS.C8H14O.2C8H12S.C7H9ClS.2C7H12N2.C7H11NS.C6H11N3/c1-11(2)13-8-14(10-15-9-13)12(3)16-6-4-5-7-16;1-8(2)10-6-5-7-12-11(10)13-9(3)4;1-8(2)9-7-14-10(11-9)12-3-5-13-6-4-12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-6(2)8-5-11-9(10)4-7(8)3;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-4-6(3)10-8(7)9;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)8-6(3)10-7(4)9-8;1-6(2)8-3-7(4-9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-5(2)7-3-6(8)4-9-7;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-4-9(3)8-7-6/h8-11H,3-7H2,1-2H3;5-9H,1-4H3;7-8H,3-6H2,1-2H3;6-7,11H,3-5H2,1-2H3;3*4-6H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;3,5-6H,1-2H3;5H,1-4H3;3,7H,4-6H2,1-2H3;2*4-6H,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyJLADOJVPKBLLMS-UHFFFAOYSA-N
XLogP70.33
TPSA342.83 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds31
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004090.95
LogP ≤ 570.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 158947634) is 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene is C=C(c1cncc(C(C)C)c1)N1CCCC1.CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1cc(C#N)cs1.CC(C)c1cc(Cl)cs1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1csc(N2CCOCC2)n1.CC(C)c1csc2c1CCNC2.Cc1cc(C(C)C)c(Cl)s1.Cc1cc(C(C)C)cnc1F.Cc1cc(Cl)ncc1C(C)C.Cc1ccncc1C(C)C.Cc1ccsc1C(C)C.Cc1cnc(Cl)c(C(C)C)c1.Cc1cscc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.
What is the InChIKey of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is JLADOJVPKBLLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C11H17NO.C10H16N2OS.C10H15NS.2C9H12ClN.C9H12FN.2C9H13N.C8H9Cl2N.C8H10ClN.C8H11ClS.C8H9F3S.C8H9F2N.C8H10FN.C8H13NO.C8H9NS.C8H13NS.C8H14O.2C8H12S.C7H9ClS.2C7H12N2.C7H11NS.C6H11N3/c1-11(2)13-8-14(10-15-9-13)12(3)16-6-4-5-7-16;1-8(2)10-6-5-7-12-11(10)13-9(3)4;1-8(2)9-7-14-10(11-9)12-3-5-13-6-4-12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-6(2)8-5-11-9(10)4-7(8)3;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-4-6(3)10-8(7)9;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)8-6(3)10-7(4)9-8;1-6(2)8-3-7(4-9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-5(2)7-3-6(8)4-9-7;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-4-9(3)8-7-6/h8-11H,3-7H2,1-2H3;5-9H,1-4H3;7-8H,3-6H2,1-2H3;6-7,11H,3-5H2,1-2H3;3*4-6H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;3,5-6H,1-2H3;5H,1-4H3;3,7H,4-6H2,1-2H3;2*4-6H,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 4090.95 g/mol, XLogP of 70.33, 31 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 158947634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).