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

C18H14ClN3O3S — CID 51003232

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c1-25-16-8-11(21-18(24)15-9-26-10-20-15)6-7-14(16)22-17(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyXMPKEIYDTXWNTM-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.31
Rot. Bonds5

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

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 51003232) 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-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
PubChem CID51003232
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c1-25-16-8-11(21-18(24)15-9-26-10-20-15)6-7-14(16)22-17(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)
InChIKeyXMPKEIYDTXWNTM-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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Related Compounds

N-[4-[(3-Methoxybenzoyl)amino]phenyl]-4-thiazolecarboxamide
CID 90144326
N-(4-(2-chlorobenzamido)-3-methoxyphenyl)thiazole-2-carboxamide
CID 51003231
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3800711
N-[2-(2-chloro-5-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide
CID 58477284
N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide
CID 58477332
N-[2-(2-chloro-6-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide
CID 58477336
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3268893
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3305032
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3340127
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3764900
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3771107
N-[3-(3-acetamidophenoxy)propyl]-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3863011

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide (CID 51003232) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XMPKEIYDTXWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-25-16-8-11(21-18(24)15-9-26-10-20-15)6-7-14(16)22-17(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-4-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-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-4-carboxamide is sourced from PubChem (CID 51003232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).