2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C28H21ClN4O2S2 — CID 16841849

IUPAC2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCc5sc(NC(=O)c6ccc(Cl)cc6)nc54)cc3)sc2c1
InChIInChI=1S/C28H21ClN4O2S2/c1-15-2-12-21-23(14-15)36-27(31-21)17-5-9-19(10-6-17)30-26(35)20-11-13-22-24(20)32-28(37-22)33-25(34)16-3-7-18(29)8-4-16/h2-10,12,14,20H,11,13H2,1H3,(H,30,35)(H,32,33,34)
InChIKeyNTLNXPNWGWHMDV-UHFFFAOYSA-N
MW545.09 g/mol
LogP7.30
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16841849) has the molecular formula C28H21ClN4O2S2 and a molecular weight of 545.09 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16841849
Molecular FormulaC28H21ClN4O2S2
Molecular Weight545.09 g/mol
Exact Mass544.08
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCc5sc(NC(=O)c6ccc(Cl)cc6)nc54)cc3)sc2c1
InChIInChI=1S/C28H21ClN4O2S2/c1-15-2-12-21-23(14-15)36-27(31-21)17-5-9-19(10-6-17)30-26(35)20-11-13-22-24(20)32-28(37-22)33-25(34)16-3-7-18(29)8-4-16/h2-10,12,14,20H,11,13H2,1H3,(H,30,35)(H,32,33,34)
InChIKeyNTLNXPNWGWHMDV-UHFFFAOYSA-N
XLogP7.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.09
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947603
2-[(4-chlorobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947395
2-[(4-methoxybenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947873
2-[(4-chlorobenzoyl)amino]-N-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947467
N-(2,5-dimethylphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947589
(4S)-N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946148
2-[(4-methylbenzoyl)amino]-N-(4-phenoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947581
N-(3,4-difluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945775
N-(3,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947900
N-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945756

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16841849) is 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCc5sc(NC(=O)c6ccc(Cl)cc6)nc54)cc3)sc2c1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is NTLNXPNWGWHMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O2S2/c1-15-2-12-21-23(14-15)36-27(31-21)17-5-9-19(10-6-17)30-26(35)20-11-13-22-24(20)32-28(37-22)33-25(34)16-3-7-18(29)8-4-16/h2-10,12,14,20H,11,13H2,1H3,(H,30,35)(H,32,33,34).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 545.09 g/mol, XLogP of 7.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16841849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).