2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C22H20FN3O3S — CID 16947308

IUPAC2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1CCc2sc(NC(=O)c3ccc(F)cc3)nc21
InChIInChI=1S/C22H20FN3O3S/c1-12-3-9-16(17(11-12)29-2)24-21(28)15-8-10-18-19(15)25-22(30-18)26-20(27)13-4-6-14(23)7-5-13/h3-7,9,11,15H,8,10H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyMRZKGJSGMXOTAN-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.52
Rot. Bonds5

About 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947308) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947308
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1CCc2sc(NC(=O)c3ccc(F)cc3)nc21
InChIInChI=1S/C22H20FN3O3S/c1-12-3-9-16(17(11-12)29-2)24-21(28)15-8-10-18-19(15)25-22(30-18)26-20(27)13-4-6-14(23)7-5-13/h3-7,9,11,15H,8,10H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyMRZKGJSGMXOTAN-UHFFFAOYSA-N
XLogP4.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-[(4-methoxybenzoyl)amino]-N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 41007458
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
(4S)-N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946148
N-(2,5-dimethoxyphenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947911
2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947198
methyl 4-[[(4S)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]amino]benzoate
CID 40945545
2-[(4-methoxybenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947873
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947228
N-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945756
N-(5-acetamido-2-methoxyphenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945839
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947308) is 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is COc1cc(C)ccc1NC(=O)C1CCc2sc(NC(=O)c3ccc(F)cc3)nc21.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is MRZKGJSGMXOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-12-3-9-16(17(11-12)29-2)24-21(28)15-8-10-18-19(15)25-22(30-18)26-20(27)13-4-6-14(23)7-5-13/h3-7,9,11,15H,8,10H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-(2-methoxy-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).