4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile

C133H157Cl3F2N16O9S14 — CID 167685744

IUPAC4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile
SMILESCC(C)c1nc(-c2ccc(C#N)cc2)cs1.CC(C)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)c1nc(-c2ccc(Cl)s2)cs1.CC(C)c1nc(-c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)cs1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nc2c(F)cc(F)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(Cl)s1.CCN(CC)S(=O)(=O)c1ccc2nc(C(C)C)[nH]c2c1.COc1ccc(-c2csc(C(C)C)n2)cc1.COc1cccc2nc(C(C)C)sc12
InChIInChI=1S/C14H21N3O2S.C14H18N2O4S3.C13H12N2S.C13H15NOS.C12H12ClNS.C11H13NOS.C10H10ClNS2.C10H9F2NS.C10H11NO.C10H11NS.C10H17NS.C6H8ClNS/c1-5-17(6-2)20(18,19)11-7-8-12-13(9-11)16-14(15-12)10(3)4;1-10(2)14-15-13(9-21-14)11-6-5-7-12(8-11)16(22(3,17)18)23(4,19)20;1-9(2)13-15-12(8-16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-12(8-16-13)10-4-6-11(15-3)7-5-10;1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-7(2)11-12-8-5-4-6-9(13-3)10(8)14-11;1-6(2)10-12-7(5-13-10)8-3-4-9(11)14-8;1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-11-8(6-12-9)10(3,4)5;1-4(2)6-8-3-5(7)9-6/h7-10H,5-6H2,1-4H3,(H,15,16);5-10H,1-4H3;3-6,8-9H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;2*3-7H,1-2H3;6-7H,1-5H3;3-4H,1-2H3
InChIKeyWEMDZAPOCJXGOS-UHFFFAOYSA-N
MW2717.11 g/mol
LogP42.34
Rot. Bonds26

About 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile

4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile (PubChem CID 167685744) has the molecular formula C133H157Cl3F2N16O9S14 and a molecular weight of 2717.11 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile
PubChem CID167685744
Molecular FormulaC133H157Cl3F2N16O9S14
Molecular Weight2717.11 g/mol
Exact Mass2712.74
IUPAC Name4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile
SMILESCC(C)c1nc(-c2ccc(C#N)cc2)cs1.CC(C)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)c1nc(-c2ccc(Cl)s2)cs1.CC(C)c1nc(-c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)cs1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nc2c(F)cc(F)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(Cl)s1.CCN(CC)S(=O)(=O)c1ccc2nc(C(C)C)[nH]c2c1.COc1ccc(-c2csc(C(C)C)n2)cc1.COc1cccc2nc(C(C)C)sc12
InChIInChI=1S/C14H21N3O2S.C14H18N2O4S3.C13H12N2S.C13H15NOS.C12H12ClNS.C11H13NOS.C10H10ClNS2.C10H9F2NS.C10H11NO.C10H11NS.C10H17NS.C6H8ClNS/c1-5-17(6-2)20(18,19)11-7-8-12-13(9-11)16-14(15-12)10(3)4;1-10(2)14-15-13(9-21-14)11-6-5-7-12(8-11)16(22(3,17)18)23(4,19)20;1-9(2)13-15-12(8-16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-12(8-16-13)10-4-6-11(15-3)7-5-10;1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-7(2)11-12-8-5-4-6-9(13-3)10(8)14-11;1-6(2)10-12-7(5-13-10)8-3-4-9(11)14-8;1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-11-8(6-12-9)10(3,4)5;1-4(2)6-8-3-5(7)9-6/h7-10H,5-6H2,1-4H3,(H,15,16);5-10H,1-4H3;3-6,8-9H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;2*3-7H,1-2H3;6-7H,1-5H3;3-4H,1-2H3
InChIKeyWEMDZAPOCJXGOS-UHFFFAOYSA-N
XLogP42.34
TPSA334.76 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms177
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002717.11
LogP ≤ 542.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile?
The IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile (CID 167685744) is 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile.
What is the SMILES notation for 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile?
The canonical SMILES for 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile is CC(C)c1nc(-c2ccc(C#N)cc2)cs1.CC(C)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)c1nc(-c2ccc(Cl)s2)cs1.CC(C)c1nc(-c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)cs1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nc2c(F)cc(F)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(Cl)s1.CCN(CC)S(=O)(=O)c1ccc2nc(C(C)C)[nH]c2c1.COc1ccc(-c2csc(C(C)C)n2)cc1.COc1cccc2nc(C(C)C)sc12.
What is the InChIKey of 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile?
The InChIKey is WEMDZAPOCJXGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.C14H18N2O4S3.C13H12N2S.C13H15NOS.C12H12ClNS.C11H13NOS.C10H10ClNS2.C10H9F2NS.C10H11NO.C10H11NS.C10H17NS.C6H8ClNS/c1-5-17(6-2)20(18,19)11-7-8-12-13(9-11)16-14(15-12)10(3)4;1-10(2)14-15-13(9-21-14)11-6-5-7-12(8-11)16(22(3,17)18)23(4,19)20;1-9(2)13-15-12(8-16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-12(8-16-13)10-4-6-11(15-3)7-5-10;1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-7(2)11-12-8-5-4-6-9(13-3)10(8)14-11;1-6(2)10-12-7(5-13-10)8-3-4-9(11)14-8;1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-11-8(6-12-9)10(3,4)5;1-4(2)6-8-3-5(7)9-6/h7-10H,5-6H2,1-4H3,(H,15,16);5-10H,1-4H3;3-6,8-9H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;2*3-7H,1-2H3;6-7H,1-5H3;3-4H,1-2H3.
What are the key properties of 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile?
4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile has a molecular weight of 2717.11 g/mol, XLogP of 42.34, 26 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-1,3-thiazole;4-(5-chlorothiophen-2-yl)-2-propan-2-yl-1,3-thiazole;N,N-diethyl-2-propan-2-yl-3H-benzimidazole-5-sulfonamide;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;4-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole;7-methoxy-2-propan-2-yl-1,3-benzothiazole;N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-(2-propan-2-yl-1,3-thiazol-4-yl)benzonitrile is sourced from PubChem (CID 167685744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).