2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide

C15H18N2O3S — CID 78861167

IUPAC2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC(C)CO)cs2)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-20-12-6-4-11(5-7-12)15-17-13(9-21-15)14(19)16-10(2)8-18/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,19)
InChIKeyHYAHSHSOPUWEQI-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 78861167) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID78861167
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC(C)CO)cs2)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-20-12-6-4-11(5-7-12)15-17-13(9-21-15)14(19)16-10(2)8-18/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,19)
InChIKeyHYAHSHSOPUWEQI-UHFFFAOYSA-N
XLogP2.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235
N-[cyano-(2,4-difluorophenyl)methyl]-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 56585491
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78861131
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide (CID 78861167) is 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NC(C)CO)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HYAHSHSOPUWEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-12-6-4-11(5-7-12)15-17-13(9-21-15)14(19)16-10(2)8-18/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78861167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).