N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C23H24N4O3S — CID 16947892

IUPACN-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H24N4O3S/c1-27(2)16-8-6-15(7-9-16)24-22(29)18-12-13-19-20(18)25-23(31-19)26-21(28)14-4-10-17(30-3)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyWQFRLLRQCJBZLN-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.14
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947892) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947892
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H24N4O3S/c1-27(2)16-8-6-15(7-9-16)24-22(29)18-12-13-19-20(18)25-23(31-19)26-21(28)14-4-10-17(30-3)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyWQFRLLRQCJBZLN-UHFFFAOYSA-N
XLogP4.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947873
N-(3,4-dimethylphenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947906
N-(3,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947900
methyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]amino]benzoate
CID 16945610
methyl 4-[[(4S)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]amino]benzoate
CID 40945545
2-[(4-methylbenzoyl)amino]-N-(4-phenoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947581
N-(2,5-dimethoxyphenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947911
N-(3,4-dimethylphenyl)-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945620
N-(4-ethoxyphenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947255
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
(4S)-N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946148
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948070

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947892) is N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is WQFRLLRQCJBZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-27(2)16-8-6-15(7-9-16)24-22(29)18-12-13-19-20(18)25-23(31-19)26-21(28)14-4-10-17(30-3)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).