2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C15H19N3O3S — CID 24956127

IUPAC2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(/N=c2/sc(C(N)=O)c(C)n2CCO)cc1
InChIInChI=1S/C15H19N3O3S/c1-3-21-12-6-4-11(5-7-12)17-15-18(8-9-19)10(2)13(22-15)14(16)20/h4-7,19H,3,8-9H2,1-2H3,(H2,16,20)/b17-15+
InChIKeyVZVQJLPZSUYKKU-BMRADRMJSA-N
MW321.40 g/mol
LogP1.58
Rot. Bonds6

About 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24956127) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24956127
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(/N=c2/sc(C(N)=O)c(C)n2CCO)cc1
InChIInChI=1S/C15H19N3O3S/c1-3-21-12-6-4-11(5-7-12)17-15-18(8-9-19)10(2)13(22-15)14(16)20/h4-7,19H,3,8-9H2,1-2H3,(H2,16,20)/b17-15+
InChIKeyVZVQJLPZSUYKKU-BMRADRMJSA-N
XLogP1.58
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24956127) is 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(/N=c2/sc(C(N)=O)c(C)n2CCO)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VZVQJLPZSUYKKU-BMRADRMJSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-21-12-6-4-11(5-7-12)17-15-18(8-9-19)10(2)13(22-15)14(16)20/h4-7,19H,3,8-9H2,1-2H3,(H2,16,20)/b17-15+.
What are the key properties of 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24956127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).