2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C19H17ClN4O4S — CID 16948687

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C19H17ClN4O4S/c1-27-15-8-7-13(9-16(15)28-2)21-17(25)14-10-29-19(23-14)24-18(26)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyDYFJWWIJQKYCKF-UHFFFAOYSA-N
MW432.89 g/mol
LogP4.71
Rot. Bonds6

About 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948687) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16948687
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C19H17ClN4O4S/c1-27-15-8-7-13(9-16(15)28-2)21-17(25)14-10-29-19(23-14)24-18(26)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyDYFJWWIJQKYCKF-UHFFFAOYSA-N
XLogP4.71
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 16948727
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 16948687) is 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DYFJWWIJQKYCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-27-15-8-7-13(9-16(15)28-2)21-17(25)14-10-29-19(23-14)24-18(26)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).