N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C13H14N2O2S — CID 42656610

IUPACN-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2O2S/c1-3-14-12(16)11-8-18-13(15-11)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyAHVSWWKGGGZBJV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42656610) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42656610
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2O2S/c1-3-14-12(16)11-8-18-13(15-11)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyAHVSWWKGGGZBJV-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42656610) is N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AHVSWWKGGGZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-14-12(16)11-8-18-13(15-11)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42656610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).