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

C12H12N2O2S — CID 3068072

IUPAC2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(C)c(C(N)=O)s1
InChIInChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15)
InChIKeyODXUWYRAHXUBLC-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.23
Rot. Bonds3

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

2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 3068072) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID3068072
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(C)c(C(N)=O)s1
InChIInChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15)
InChIKeyODXUWYRAHXUBLC-UHFFFAOYSA-N
XLogP2.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 3068072) is 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1-c1nc(C)c(C(N)=O)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ODXUWYRAHXUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).