N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide

C11H9ClN2O2S — CID 55143825

IUPACN-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cscn2)c1
InChIInChI=1S/C11H9ClN2O2S/c1-16-7-2-3-8(12)9(4-7)14-11(15)10-5-17-6-13-10/h2-6H,1H3,(H,14,15)
InChIKeyNZCHJXUWWQAXTF-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.06
Rot. Bonds3

About N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55143825) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID55143825
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC NameN-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cscn2)c1
InChIInChI=1S/C11H9ClN2O2S/c1-16-7-2-3-8(12)9(4-7)14-11(15)10-5-17-6-13-10/h2-6H,1H3,(H,14,15)
InChIKeyNZCHJXUWWQAXTF-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 71852534
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63047654
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(2-chloro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107026835
N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 62047199
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide
CID 140552918
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 55143825) is N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(Cl)c(NC(=O)c2cscn2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NZCHJXUWWQAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-16-7-2-3-8(12)9(4-7)14-11(15)10-5-17-6-13-10/h2-6H,1H3,(H,14,15).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55143825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).