N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole

C127H144N14O9S8 — CID 159505943

IUPACN-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(=O)C(NC(=O)c1ccc2nc(C(C)C)sc2c1)C(C)C.CC(C)c1nc2ccc(C(=O)NC3CCCCC3)cc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.COC(=O)c1cccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)c1.Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)cc1.Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)cc1.Cc1cccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)c1
InChIInChI=1S/C20H20N2O3S.3C19H20N2OS.C17H22N2O2S.C17H22N2OS.C10H11NS.C6H9NS/c1-12(2)19-22-16-8-7-14(10-17(16)26-19)18(23)21-11-13-5-4-6-15(9-13)20(24)25-3;2*1-12(2)19-21-16-9-8-15(10-17(16)23-19)18(22)20-11-14-6-4-13(3)5-7-14;1-12(2)19-21-16-8-7-15(10-17(16)23-19)18(22)20-11-14-6-4-5-13(3)9-14;1-9(2)15(11(5)20)19-16(21)12-6-7-13-14(8-12)22-17(18-13)10(3)4;1-11(2)17-19-14-9-8-12(10-15(14)21-17)16(20)18-13-6-4-3-5-7-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6/h4-10,12H,11H2,1-3H3,(H,21,23);3*4-10,12H,11H2,1-3H3,(H,20,22);6-10,15H,1-5H3,(H,19,21);8-11,13H,3-7H2,1-2H3,(H,18,20);3-7H,1-2H3;3-5H,1-2H3
InChIKeyLZZIMIIYWUYUSC-UHFFFAOYSA-N
MW2267.17 g/mol
LogP32.04
Rot. Bonds27

About N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole

N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 159505943) has the molecular formula C127H144N14O9S8 and a molecular weight of 2267.17 g/mol. Its IUPAC name is N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound NameN-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole
PubChem CID159505943
Molecular FormulaC127H144N14O9S8
Molecular Weight2267.17 g/mol
Exact Mass2264.90
IUPAC NameN-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(=O)C(NC(=O)c1ccc2nc(C(C)C)sc2c1)C(C)C.CC(C)c1nc2ccc(C(=O)NC3CCCCC3)cc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.COC(=O)c1cccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)c1.Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)cc1.Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)cc1.Cc1cccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)c1
InChIInChI=1S/C20H20N2O3S.3C19H20N2OS.C17H22N2O2S.C17H22N2OS.C10H11NS.C6H9NS/c1-12(2)19-22-16-8-7-14(10-17(16)26-19)18(23)21-11-13-5-4-6-15(9-13)20(24)25-3;2*1-12(2)19-21-16-9-8-15(10-17(16)23-19)18(22)20-11-14-6-4-13(3)5-7-14;1-12(2)19-21-16-8-7-15(10-17(16)23-19)18(22)20-11-14-6-4-5-13(3)9-14;1-9(2)15(11(5)20)19-16(21)12-6-7-13-14(8-12)22-17(18-13)10(3)4;1-11(2)17-19-14-9-8-12(10-15(14)21-17)16(20)18-13-6-4-3-5-7-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6/h4-10,12H,11H2,1-3H3,(H,21,23);3*4-10,12H,11H2,1-3H3,(H,20,22);6-10,15H,1-5H3,(H,19,21);8-11,13H,3-7H2,1-2H3,(H,18,20);3-7H,1-2H3;3-5H,1-2H3
InChIKeyLZZIMIIYWUYUSC-UHFFFAOYSA-N
XLogP32.04
TPSA321.09 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.17
LogP ≤ 532.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-acetylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-methylbenzamide;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]undecane-1,9-dione;[(E)-hex-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-hex-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;1-(2-thiophen-2-yl-1,3-thiazol-4-yl)nonane-1,7-dione
CID 159151061
(3S)-3-amino-5-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one;1H-indole-5-carboxylic acid;methane;N-[(3S)-5-methylsulfanyl-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pentan-3-yl]-1H-indole-5-carboxamide
CID 159348168
benzyl (2S)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
CID 160231861
adamantan-2-amine;2-[3-(2-adamantyl)-2-oxopropyl]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide;di(imidazol-1-yl)methanone;methane;methyl 2-[3-(2-adamantyl)-2-oxopropyl]-1,3-benzothiazole-6-carboxylate;methyl 2-amino-1,3-benzothiazole-6-carboxylate;methyl 2-(2-imidazol-1-yl-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 160290969
Cbz-Ala-Pro-thiazol-2-yl.Boc-Phe-Pro-benzothiazol-2-yl.Cbz-Lys-Pro-benzothiazol-2-yl.Cbz-Phe-Pro-pyrrol-2-yl
CID 160901292
7-aminoheptan-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[8-(2-methylsulfonyl-1,3-benzothiazol-6-yl)-8-oxooctanoyl]amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[(5S)-5-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,6-dimethyl-3-oxoheptan-2-yl]carbamate;methyl 6-[(2-methylsulfanyl-1,3-benzothiazole-6-carbonyl)amino]hexanoate;6-[(2-methylsulfanyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid;2-methylsulfanyl-1,3-benzothiazole-6-carboxylic acid;6-[(2-methylsulfonyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid;hydrochloride
CID 161521582
adamantan-2-amine;2-[3-(2-adamantyl)-2-oxopropyl]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide;di(imidazol-1-yl)methanone;methyl 2-[3-(2-adamantyl)-2-oxopropyl]-1,3-benzothiazole-6-carboxylate;methyl 2-amino-1,3-benzothiazole-6-carboxylate;methyl 2-(2-imidazol-1-yl-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 161688586

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole (CID 159505943) is N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole is CC(=O)C(NC(=O)c1ccc2nc(C(C)C)sc2c1)C(C)C.CC(C)c1nc2ccc(C(=O)NC3CCCCC3)cc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.COC(=O)c1cccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)c1.Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)cc1.Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)cc1.Cc1cccc(CNC(=O)c2ccc3nc(C(C)C)sc3c2)c1.
What is the InChIKey of N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is LZZIMIIYWUYUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S.3C19H20N2OS.C17H22N2O2S.C17H22N2OS.C10H11NS.C6H9NS/c1-12(2)19-22-16-8-7-14(10-17(16)26-19)18(23)21-11-13-5-4-6-15(9-13)20(24)25-3;2*1-12(2)19-21-16-9-8-15(10-17(16)23-19)18(22)20-11-14-6-4-13(3)5-7-14;1-12(2)19-21-16-8-7-15(10-17(16)23-19)18(22)20-11-14-6-4-5-13(3)9-14;1-9(2)15(11(5)20)19-16(21)12-6-7-13-14(8-12)22-17(18-13)10(3)4;1-11(2)17-19-14-9-8-12(10-15(14)21-17)16(20)18-13-6-4-3-5-7-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6/h4-10,12H,11H2,1-3H3,(H,21,23);3*4-10,12H,11H2,1-3H3,(H,20,22);6-10,15H,1-5H3,(H,19,21);8-11,13H,3-7H2,1-2H3,(H,18,20);3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole?
N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 2267.17 g/mol, XLogP of 32.04, 27 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159505943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).