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

C13H13ClN2O2S — CID 86786211

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1csnc1C
InChIInChI=1S/C13H13ClN2O2S/c1-8-11(7-19-16-8)13(17)15-6-9-5-10(14)3-4-12(9)18-2/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyLJKMTQJYIBCXMZ-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.04
Rot. Bonds4

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

N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 86786211) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID86786211
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1csnc1C
InChIInChI=1S/C13H13ClN2O2S/c1-8-11(7-19-16-8)13(17)15-6-9-5-10(14)3-4-12(9)18-2/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyLJKMTQJYIBCXMZ-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 75501226
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
CID 167835973
N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47042782
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 86786211) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide is COc1ccc(Cl)cc1CNC(=O)c1csnc1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is LJKMTQJYIBCXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-11(7-19-16-8)13(17)15-6-9-5-10(14)3-4-12(9)18-2/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 86786211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).