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

C14H16N2O4S — CID 12813043

IUPAC4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(-c2nc(C)c(C(N)=O)s2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-7-12(13(15)17)21-14(16-7)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H2,15,17)
InChIKeyOXWRIAJMFOSJDJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.24
Rot. Bonds5

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

4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 12813043) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID12813043
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(-c2nc(C)c(C(N)=O)s2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-7-12(13(15)17)21-14(16-7)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H2,15,17)
InChIKeyOXWRIAJMFOSJDJ-UHFFFAOYSA-N
XLogP2.24
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 77094690
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 42570988
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 42537603
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
2-(3-bromo-5-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745239
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 134058827
ethyl 2-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645079
N-(3-aminobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119498037
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 75269417
2-(3-bromo-5-methoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745237

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 12813043) is 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(-c2nc(C)c(C(N)=O)s2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OXWRIAJMFOSJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-7-12(13(15)17)21-14(16-7)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H2,15,17).
What are the key properties of 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 12813043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).