N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H16N2O2S2 — CID 86940566

IUPACN-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1C
InChIInChI=1S/C17H16N2O2S2/c1-3-21-14-5-4-13(8-11(14)2)19-16(20)15-9-18-17(23-15)12-6-7-22-10-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyTVBZECYNVYIMON-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.83
Rot. Bonds5

About N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 86940566) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID86940566
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1C
InChIInChI=1S/C17H16N2O2S2/c1-3-21-14-5-4-13(8-11(14)2)19-16(20)15-9-18-17(23-15)12-6-7-22-10-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyTVBZECYNVYIMON-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 86940566) is N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TVBZECYNVYIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-3-21-14-5-4-13(8-11(14)2)19-16(20)15-9-18-17(23-15)12-6-7-22-10-12/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86940566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).