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

C19H18N2O4S — CID 17428705

IUPAC2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-13(10-16(24-2)17(15)25-3)20-18(22)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)
InChIKeyZSZGFWSFZIPWAZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.09
Rot. Bonds6

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

2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 17428705) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID17428705
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-13(10-16(24-2)17(15)25-3)20-18(22)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)
InChIKeyZSZGFWSFZIPWAZ-UHFFFAOYSA-N
XLogP4.09
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 17428705) is 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZSZGFWSFZIPWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-9-13(10-16(24-2)17(15)25-3)20-18(22)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22).
What are the key properties of 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17428705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).