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

C15H18N2O4S — CID 3068067

IUPACN,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C15H18N2O4S/c1-8-13(14(18)16-2)22-15(17-8)9-6-10(19-3)12(21-5)11(7-9)20-4/h6-7H,1-5H3,(H,16,18)
InChIKeyKJCOCIRKXVZOFV-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.50
Rot. Bonds5

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

N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3068067) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3068067
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C15H18N2O4S/c1-8-13(14(18)16-2)22-15(17-8)9-6-10(19-3)12(21-5)11(7-9)20-4/h6-7H,1-5H3,(H,16,18)
InChIKeyKJCOCIRKXVZOFV-UHFFFAOYSA-N
XLogP2.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 3068067) is N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C.
What is the InChIKey of N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KJCOCIRKXVZOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-8-13(14(18)16-2)22-15(17-8)9-6-10(19-3)12(21-5)11(7-9)20-4/h6-7H,1-5H3,(H,16,18).
What are the key properties of N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).