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

C23H20N4O2S2 — CID 16947613

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C23H20N4O2S2/c1-12-3-6-14(7-4-12)20(28)26-23-25-19-15(8-10-17(19)30-23)21(29)27-22-24-16-9-5-13(2)11-18(16)31-22/h3-7,9,11,15H,8,10H2,1-2H3,(H,24,27,29)(H,25,26,28)
InChIKeyAFFGXZONHZSSCD-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.29
Rot. Bonds4

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

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947613) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947613
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C23H20N4O2S2/c1-12-3-6-14(7-4-12)20(28)26-23-25-19-15(8-10-17(19)30-23)21(29)27-22-24-16-9-5-13(2)11-18(16)31-22/h3-7,9,11,15H,8,10H2,1-2H3,(H,24,27,29)(H,25,26,28)
InChIKeyAFFGXZONHZSSCD-UHFFFAOYSA-N
XLogP5.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(2,5-dimethylphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947589
2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947134
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
(4R)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946217
2-[(4-methoxybenzoyl)amino]-N-(6-nitro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947933
2-[(4-methoxybenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947873
(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-(3-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947633
(4S)-2-[(4-methoxybenzoyl)amino]-N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 41007458
2-benzamido-N-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945328
2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947308

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of 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) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is Cc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is AFFGXZONHZSSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-12-3-6-14(7-4-12)20(28)26-23-25-19-15(8-10-17(19)30-23)21(29)27-22-24-16-9-5-13(2)11-18(16)31-22/h3-7,9,11,15H,8,10H2,1-2H3,(H,24,27,29)(H,25,26,28).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).