(4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C20H19N3O2S2 — CID 40946050

IUPAC(4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccs2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-12-4-6-13(7-5-12)18(24)23-20-22-17-15(8-9-16(17)27-20)19(25)21-11-14-3-2-10-26-14/h2-7,10,15H,8-9,11H2,1H3,(H,21,25)(H,22,23,24)/t15-/m0/s1
InChIKeyYUNKTBADBPELKX-HNNXBMFYSA-N
MW397.53 g/mol
LogP4.11
Rot. Bonds5

About (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

(4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 40946050) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID40946050
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name(4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccs2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-12-4-6-13(7-5-12)18(24)23-20-22-17-15(8-9-16(17)27-20)19(25)21-11-14-3-2-10-26-14/h2-7,10,15H,8-9,11H2,1H3,(H,21,25)(H,22,23,24)/t15-/m0/s1
InChIKeyYUNKTBADBPELKX-HNNXBMFYSA-N
XLogP4.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-[(4-methylbenzoyl)amino]-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40894832
2-[(4-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945730
(4R)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946217
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
N-(2,5-dimethylphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947589
N-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945709
2-[(4-chlorobenzoyl)amino]-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947465
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947613
2-[(4-methoxybenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947873
N-[(2,6-difluorophenyl)methyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947938
2-[(4-methylbenzoyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945800

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 40946050) is (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccs2)cc1.
What is the InChIKey of (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is YUNKTBADBPELKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-12-4-6-13(7-5-12)18(24)23-20-22-17-15(8-9-16(17)27-20)19(25)21-11-14-3-2-10-26-14/h2-7,10,15H,8-9,11H2,1H3,(H,21,25)(H,22,23,24)/t15-/m0/s1.
What are the key properties of (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
(4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(4-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 40946050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).