2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C24H22ClN3O2S — CID 46565883

IUPAC2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C2CC2)cc1
InChIInChI=1S/C24H22ClN3O2S/c25-18-7-5-17(6-8-18)23-27-21(14-31-23)24(30)28(20-11-12-20)13-15-1-3-16(4-2-15)22(29)26-19-9-10-19/h1-8,14,19-20H,9-13H2,(H,26,29)
InChIKeyHWDRHWLJFZMTPG-UHFFFAOYSA-N
MW451.98 g/mol
LogP5.16
Rot. Bonds7

About 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46565883) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID46565883
Molecular FormulaC24H22ClN3O2S
Molecular Weight451.98 g/mol
Exact Mass451.11
IUPAC Name2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C2CC2)cc1
InChIInChI=1S/C24H22ClN3O2S/c25-18-7-5-17(6-8-18)23-27-21(14-31-23)24(30)28(20-11-12-20)13-15-1-3-16(4-2-15)22(29)26-19-9-10-19/h1-8,14,19-20H,9-13H2,(H,26,29)
InChIKeyHWDRHWLJFZMTPG-UHFFFAOYSA-N
XLogP5.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.98
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 33347805
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 46565883) is 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C2CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HWDRHWLJFZMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c25-18-7-5-17(6-8-18)23-27-21(14-31-23)24(30)28(20-11-12-20)13-15-1-3-16(4-2-15)22(29)26-19-9-10-19/h1-8,14,19-20H,9-13H2,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.98 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46565883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).