N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide

C18H14ClN3O3S — CID 51003231

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide
SMILESCOc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c1-25-15-10-11(21-17(24)18-20-8-9-26-18)6-7-14(15)22-16(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyJXIFIARMNWESKW-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.31
Rot. Bonds5

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide (PubChem CID 51003231) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide
PubChem CID51003231
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide
SMILESCOc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c1-25-15-10-11(21-17(24)18-20-8-9-26-18)6-7-14(15)22-16(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyJXIFIARMNWESKW-UHFFFAOYSA-N
XLogP4.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide (CID 51003231) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide is COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JXIFIARMNWESKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-25-15-10-11(21-17(24)18-20-8-9-26-18)6-7-14(15)22-16(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 51003231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).