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

C20H14Cl2FN3O2S — CID 16947266

IUPACN-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14Cl2FN3O2S/c21-14-7-5-12(9-15(14)22)24-19(28)13-6-8-16-17(13)25-20(29-16)26-18(27)10-1-3-11(23)4-2-10/h1-5,7,9,13H,6,8H2,(H,24,28)(H,25,26,27)
InChIKeyUQOABXPABQATBH-UHFFFAOYSA-N
MW450.32 g/mol
LogP5.51
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947266) has the molecular formula C20H14Cl2FN3O2S and a molecular weight of 450.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947266
Molecular FormulaC20H14Cl2FN3O2S
Molecular Weight450.32 g/mol
Exact Mass449.02
IUPAC NameN-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14Cl2FN3O2S/c21-14-7-5-12(9-15(14)22)24-19(28)13-6-8-16-17(13)25-20(29-16)26-18(27)10-1-3-11(23)4-2-10/h1-5,7,9,13H,6,8H2,(H,24,28)(H,25,26,27)
InChIKeyUQOABXPABQATBH-UHFFFAOYSA-N
XLogP5.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947900
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
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]-N-(3-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947315
2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947198
N-(4-ethoxyphenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947255
2-benzamido-N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945305
N-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945756
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947312
2-[(4-chlorobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947395
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-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947467

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947266) is N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is O=C(Nc1nc2c(s1)CCC2C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is UQOABXPABQATBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3O2S/c21-14-7-5-12(9-15(14)22)24-19(28)13-6-8-16-17(13)25-20(29-16)26-18(27)10-1-3-11(23)4-2-10/h1-5,7,9,13H,6,8H2,(H,24,28)(H,25,26,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 450.32 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).