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

C13H14N2O3S — CID 3068069

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(N)=O)s2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-7-11(12(14)16)19-13(15-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H2,14,16)
InChIKeyKUUQMVAMUVEWCA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.23
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 3068069) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID3068069
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(N)=O)s2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-7-11(12(14)16)19-13(15-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H2,14,16)
InChIKeyKUUQMVAMUVEWCA-UHFFFAOYSA-N
XLogP2.23
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 3068069) is 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(N)=O)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KUUQMVAMUVEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-11(12(14)16)19-13(15-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H2,14,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).