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

C17H11Cl3N4O2S — CID 16948678

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C17H11Cl3N4O2S/c18-9-1-3-10(4-2-9)22-16(26)24-17-23-14(8-27-17)15(25)21-11-5-6-12(19)13(20)7-11/h1-8H,(H,21,25)(H2,22,23,24,26)
InChIKeyNJNMMNAPLDQBJC-UHFFFAOYSA-N
MW441.73 g/mol
LogP6.00
Rot. Bonds4

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

2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948678) has the molecular formula C17H11Cl3N4O2S and a molecular weight of 441.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID16948678
Molecular FormulaC17H11Cl3N4O2S
Molecular Weight441.73 g/mol
Exact Mass439.97
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C17H11Cl3N4O2S/c18-9-1-3-10(4-2-9)22-16(26)24-17-23-14(8-27-17)15(25)21-11-5-6-12(19)13(20)7-11/h1-8H,(H,21,25)(H2,22,23,24,26)
InChIKeyNJNMMNAPLDQBJC-UHFFFAOYSA-N
XLogP6.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.73
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 16948727
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053496
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide (CID 16948678) is 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)Nc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NJNMMNAPLDQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O2S/c18-9-1-3-10(4-2-9)22-16(26)24-17-23-14(8-27-17)15(25)21-11-5-6-12(19)13(20)7-11/h1-8H,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 441.73 g/mol, XLogP of 6.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).