2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene

C174H243FN28O10S10 — CID 159209208

IUPAC2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene
SMILESCC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1cnc(C(C)F)s1.CC(C)c1cnc(C2CC2)s1.CC(C)c1cnn(C)c1.CC(C)c1nc(-c2ccccc2)no1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(N2CCCCC2)s1.CC1=NC(C(C)C)=CC1.CCc1cc(C(C)C)on1.CCc1ncc(C(C)C)s1.COCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ccc(-c2noc(C(C)C)n2)cc1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C12H14N2O.C11H13N3S.C11H12N2OS.C11H12N2O.C11H12N2S.C10H11N3S.C10H17N3S.C9H13NS.C8H12FNS.C8H13NO2.C8H13NO.C8H13NS.C8H13N.C7H12N2.2C7H11NO.C7H11NS.2C7H10O.C7H10S/c1-8(2)12-13-11(14-15-12)10-6-4-9(3)5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-8(2)9-11-12-10(14-9)13-6-4-3-5-7-13;1-6(2)8-5-10-9(11-8)7-3-4-7;1-5(2)7-4-10-8(11-7)6(3)9;1-6(2)8-4-7(5-10-3)9-11-8;1-4-7-5-8(6(2)3)10-9-7;1-4-8-9-5-7(10-8)6(2)3;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;4-7H,1-3H3;3-7,14H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;4-6H,1-3H3;4,6H,5H2,1-3H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;3*3-6H,1-2H3
InChIKeyKQGVNWYHNJBOSA-UHFFFAOYSA-N
MW3226.71 g/mol
LogP52.77
Rot. Bonds33

About 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene

2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene (PubChem CID 159209208) has the molecular formula C174H243FN28O10S10 and a molecular weight of 3226.71 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene
PubChem CID159209208
Molecular FormulaC174H243FN28O10S10
Molecular Weight3226.71 g/mol
Exact Mass3223.66
IUPAC Name2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene
SMILESCC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1cnc(C(C)F)s1.CC(C)c1cnc(C2CC2)s1.CC(C)c1cnn(C)c1.CC(C)c1nc(-c2ccccc2)no1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(N2CCCCC2)s1.CC1=NC(C(C)C)=CC1.CCc1cc(C(C)C)on1.CCc1ncc(C(C)C)s1.COCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ccc(-c2noc(C(C)C)n2)cc1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C12H14N2O.C11H13N3S.C11H12N2OS.C11H12N2O.C11H12N2S.C10H11N3S.C10H17N3S.C9H13NS.C8H12FNS.C8H13NO2.C8H13NO.C8H13NS.C8H13N.C7H12N2.2C7H11NO.C7H11NS.2C7H10O.C7H10S/c1-8(2)12-13-11(14-15-12)10-6-4-9(3)5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-8(2)9-11-12-10(14-9)13-6-4-3-5-7-13;1-6(2)8-5-10-9(11-8)7-3-4-7;1-5(2)7-4-10-8(11-7)6(3)9;1-6(2)8-4-7(5-10-3)9-11-8;1-4-7-5-8(6(2)3)10-9-7;1-4-8-9-5-7(10-8)6(2)3;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;4-7H,1-3H3;3-7,14H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;4-6H,1-3H3;4,6H,5H2,1-3H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;3*3-6H,1-2H3
InChIKeyKQGVNWYHNJBOSA-UHFFFAOYSA-N
XLogP52.77
TPSA477.36 Ų
H-Bond Donors1
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003226.71
LogP ≤ 552.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1048

Analyze 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene?
The IUPAC name of 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene (CID 159209208) is 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene?
The canonical SMILES for 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene is CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1cnc(C(C)F)s1.CC(C)c1cnc(C2CC2)s1.CC(C)c1cnn(C)c1.CC(C)c1nc(-c2ccccc2)no1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(N2CCCCC2)s1.CC1=NC(C(C)C)=CC1.CCc1cc(C(C)C)on1.CCc1ncc(C(C)C)s1.COCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ccc(-c2noc(C(C)C)n2)cc1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.
What is the InChIKey of 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene?
The InChIKey is KQGVNWYHNJBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C11H13N3S.C11H12N2OS.C11H12N2O.C11H12N2S.C10H11N3S.C10H17N3S.C9H13NS.C8H12FNS.C8H13NO2.C8H13NO.C8H13NS.C8H13N.C7H12N2.2C7H11NO.C7H11NS.2C7H10O.C7H10S/c1-8(2)12-13-11(14-15-12)10-6-4-9(3)5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-8(2)9-11-12-10(14-9)13-6-4-3-5-7-13;1-6(2)8-5-10-9(11-8)7-3-4-7;1-5(2)7-4-10-8(11-7)6(3)9;1-6(2)8-4-7(5-10-3)9-11-8;1-4-7-5-8(6(2)3)10-9-7;1-4-8-9-5-7(10-8)6(2)3;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;4-7H,1-3H3;3-7,14H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;4-6H,1-3H3;4,6H,5H2,1-3H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;3*3-6H,1-2H3.
What are the key properties of 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene?
2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene has a molecular weight of 3226.71 g/mol, XLogP of 52.77, 33 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;2-piperidin-1-yl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol;2-propan-2-ylthiophene is sourced from PubChem (CID 159209208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).