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

C19H22N4O4S — CID 117082087

IUPACN-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3c(C)nn(C)c3C)n2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O4S/c1-10-16(11(2)23(3)22-10)19-21-13(9-28-19)18(24)20-12-7-14(25-4)17(27-6)15(8-12)26-5/h7-9H,1-6H3,(H,20,24)
InChIKeyRLWRGZXNDAMXCE-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.44
Rot. Bonds6

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

N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 117082087) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID117082087
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3c(C)nn(C)c3C)n2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O4S/c1-10-16(11(2)23(3)22-10)19-21-13(9-28-19)18(24)20-12-7-14(25-4)17(27-6)15(8-12)26-5/h7-9H,1-6H3,(H,20,24)
InChIKeyRLWRGZXNDAMXCE-UHFFFAOYSA-N
XLogP3.44
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-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-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 117082087) is N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(-c3c(C)nn(C)c3C)n2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RLWRGZXNDAMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-10-16(11(2)23(3)22-10)19-21-13(9-28-19)18(24)20-12-7-14(25-4)17(27-6)15(8-12)26-5/h7-9H,1-6H3,(H,20,24).
What are the key properties of N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117082087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).