2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene

C206H300Cl4F7N25O5S8 — CID 167611564

IUPAC2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESC#Cc1csc(C(C)C)c1.C=C(c1cncc(C(C)C)c1)N1CCCC1.CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1csc(N2CCOCC2)n1.CCc1cc(C(C)C)ccn1.COc1ncccc1C(C)C.Cc1cc(C(C)C)c(Cl)s1.Cc1cc(C(C)C)cnc1F.Cc1ccsc1C(C)C.Cc1cnc(Cl)c(C(C)C)c1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nccc(C(C)C)c1C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C14H20N2.C11H17NO.C10H16N2OS.2C10H15N.C9H12ClN.C9H12FN.C9H13NO.C9H13N.C9H10S.C8H9Cl2N.C8H11ClS.C8H9F3S.C8H9F2N.C8H10FN.C8H13NO.C8H13NS.C8H14O.C8H12S.2C7H12N2.2C7H11NS.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)10-5-6-11-9(4)8(10)3;1-4-10-7-9(8(2)3)5-6-11-10;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)8-5-4-6-10-9(8)11-3;1-7(2)9-5-4-6-10-8(9)3;1-4-8-5-9(7(2)3)10-6-8;1-5(2)6-3-4-7(9)11-8(6)10;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;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;2*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;5-7H,1-4H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;1,5-7H,2-3H3;3-5H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*5H,1-4H3;3,7H,4-6H2,1-2H3;3*4-6H,1-3H3;3*4-5H,1-3H3
InChIKeyLCYXZLHXAXGQCI-UHFFFAOYSA-N
MW3738.17 g/mol
LogP63.06
Rot. Bonds31

About 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene

2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 167611564) has the molecular formula C206H300Cl4F7N25O5S8 and a molecular weight of 3738.17 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID167611564
Molecular FormulaC206H300Cl4F7N25O5S8
Molecular Weight3738.17 g/mol
Exact Mass3733.04
IUPAC Name2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESC#Cc1csc(C(C)C)c1.C=C(c1cncc(C(C)C)c1)N1CCCC1.CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1csc(N2CCOCC2)n1.CCc1cc(C(C)C)ccn1.COc1ncccc1C(C)C.Cc1cc(C(C)C)c(Cl)s1.Cc1cc(C(C)C)cnc1F.Cc1ccsc1C(C)C.Cc1cnc(Cl)c(C(C)C)c1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nccc(C(C)C)c1C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C14H20N2.C11H17NO.C10H16N2OS.2C10H15N.C9H12ClN.C9H12FN.C9H13NO.C9H13N.C9H10S.C8H9Cl2N.C8H11ClS.C8H9F3S.C8H9F2N.C8H10FN.C8H13NO.C8H13NS.C8H14O.C8H12S.2C7H12N2.2C7H11NS.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)10-5-6-11-9(4)8(10)3;1-4-10-7-9(8(2)3)5-6-11-10;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)8-5-4-6-10-9(8)11-3;1-7(2)9-5-4-6-10-8(9)3;1-4-8-5-9(7(2)3)10-6-8;1-5(2)6-3-4-7(9)11-8(6)10;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;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;2*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;5-7H,1-4H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;1,5-7H,2-3H3;3-5H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*5H,1-4H3;3,7H,4-6H2,1-2H3;3*4-6H,1-3H3;3*4-5H,1-3H3
InChIKeyLCYXZLHXAXGQCI-UHFFFAOYSA-N
XLogP63.06
TPSA329.13 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003738.17
LogP ≤ 563.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 167611564) is 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene is C#Cc1csc(C(C)C)c1.C=C(c1cncc(C(C)C)c1)N1CCCC1.CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1csc(N2CCOCC2)n1.CCc1cc(C(C)C)ccn1.COc1ncccc1C(C)C.Cc1cc(C(C)C)c(Cl)s1.Cc1cc(C(C)C)cnc1F.Cc1ccsc1C(C)C.Cc1cnc(Cl)c(C(C)C)c1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nccc(C(C)C)c1C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.Cc1ncsc1C(C)C.
What is the InChIKey of 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is LCYXZLHXAXGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C11H17NO.C10H16N2OS.2C10H15N.C9H12ClN.C9H12FN.C9H13NO.C9H13N.C9H10S.C8H9Cl2N.C8H11ClS.C8H9F3S.C8H9F2N.C8H10FN.C8H13NO.C8H13NS.C8H14O.C8H12S.2C7H12N2.2C7H11NS.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)10-5-6-11-9(4)8(10)3;1-4-10-7-9(8(2)3)5-6-11-10;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)8-5-4-6-10-9(8)11-3;1-7(2)9-5-4-6-10-8(9)3;1-4-8-5-9(7(2)3)10-6-8;1-5(2)6-3-4-7(9)11-8(6)10;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;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;2*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;5-7H,1-4H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;1,5-7H,2-3H3;3-5H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*5H,1-4H3;3,7H,4-6H2,1-2H3;3*4-6H,1-3H3;3*4-5H,1-3H3.
What are the key properties of 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene?
2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 3738.17 g/mol, XLogP of 63.06, 31 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-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;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-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;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 167611564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).