N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C17H11Cl2N3O2S — CID 99812136

IUPACN-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)cccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H11Cl2N3O2S/c18-10-6-4-9(5-7-10)17-22-13(8-25-17)16(24)21-12-3-1-2-11(19)14(12)15(20)23/h1-8H,(H2,20,23)(H,21,24)
InChIKeyYOHMUIWAZURYDJ-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.47
Rot. Bonds4

About N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 99812136) has the molecular formula C17H11Cl2N3O2S and a molecular weight of 392.27 g/mol. Its IUPAC name is N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID99812136
Molecular FormulaC17H11Cl2N3O2S
Molecular Weight392.27 g/mol
Exact Mass390.99
IUPAC NameN-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)cccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H11Cl2N3O2S/c18-10-6-4-9(5-7-10)17-22-13(8-25-17)16(24)21-12-3-1-2-11(19)14(12)15(20)23/h1-8H,(H2,20,23)(H,21,24)
InChIKeyYOHMUIWAZURYDJ-UHFFFAOYSA-N
XLogP4.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 71852717
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
N-(2,3-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110651203
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 99812136) is N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1c(Cl)cccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YOHMUIWAZURYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S/c18-10-6-4-9(5-7-10)17-22-13(8-25-17)16(24)21-12-3-1-2-11(19)14(12)15(20)23/h1-8H,(H2,20,23)(H,21,24).
What are the key properties of N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 392.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99812136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).