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

C23H22ClN3O4S — CID 16948014

IUPACN-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClN3O4S/c1-30-16-9-14(10-17(11-16)31-2)21(28)27-23-26-20-18(7-8-19(20)32-23)22(29)25-12-13-3-5-15(24)6-4-13/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyCBVZYZUGTNATOD-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.41
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16948014) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16948014
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClN3O4S/c1-30-16-9-14(10-17(11-16)31-2)21(28)27-23-26-20-18(7-8-19(20)32-23)22(29)25-12-13-3-5-15(24)6-4-13/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyCBVZYZUGTNATOD-UHFFFAOYSA-N
XLogP4.41
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947852
2-[(4-chlorobenzoyl)amino]-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947465
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945568
N-(2-amino-2-oxoethyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948121
N-(3-chlorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948040
2-[(3,5-dimethoxybenzoyl)amino]-N-(3-methylbutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947998
N-benzyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945565
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947378
N-[2-(4-chlorophenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945657
N-cyclopropyl-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16948102
N-[(2,6-difluorophenyl)methyl]-2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947938
2-(1,3-benzodioxole-5-carbonylamino)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945888

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16948014) is N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCC3C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is CBVZYZUGTNATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-30-16-9-14(10-17(11-16)31-2)21(28)27-23-26-20-18(7-8-19(20)32-23)22(29)25-12-13-3-5-15(24)6-4-13/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 471.97 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16948014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).