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

C24H24FN3O4S — CID 16947228

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1OC
InChIInChI=1S/C24H24FN3O4S/c1-31-18-9-3-14(13-19(18)32-2)11-12-26-23(30)17-8-10-20-21(17)27-24(33-20)28-22(29)15-4-6-16(25)7-5-15/h3-7,9,13,17H,8,10-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyNKTKMYGYIVUYFL-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.94
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947228) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947228
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1OC
InChIInChI=1S/C24H24FN3O4S/c1-31-18-9-3-14(13-19(18)32-2)11-12-26-23(30)17-8-10-20-21(17)27-24(33-20)28-22(29)15-4-6-16(25)7-5-15/h3-7,9,13,17H,8,10-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyNKTKMYGYIVUYFL-UHFFFAOYSA-N
XLogP3.94
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 41007228
2-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947230
2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947198
2-[(4-fluorobenzoyl)amino]-N-octyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947305
(4S)-2-benzamido-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40945181
(4S)-N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946148
N-[2-(4-chlorophenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945657
methyl 4-[[(4S)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]amino]benzoate
CID 40945545
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947312
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947852
N-(2,5-dimethoxyphenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947911
N-[(2,6-difluorophenyl)methyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947938

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947228) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is COc1ccc(CCNC(=O)C2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is NKTKMYGYIVUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-31-18-9-3-14(13-19(18)32-2)11-12-26-23(30)17-8-10-20-21(17)27-24(33-20)28-22(29)15-4-6-16(25)7-5-15/h3-7,9,13,17H,8,10-12H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).