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

C12H12N2O2S — CID 110696014

IUPACN-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C12H12N2O2S/c1-2-16-10-5-3-9(4-6-10)14-11(15)12-13-7-8-17-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyCIJMVWXCMUFDOW-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.79
Rot. Bonds4

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

N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 110696014) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID110696014
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C12H12N2O2S/c1-2-16-10-5-3-9(4-6-10)14-11(15)12-13-7-8-17-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyCIJMVWXCMUFDOW-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696380
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 3644922
4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
CID 27701568
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
CID 60564468
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide
CID 8558609
N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 146186539
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
5-[3-(4-ethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354339

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide (CID 110696014) is N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide is CCOc1ccc(NC(=O)c2nccs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is CIJMVWXCMUFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-16-10-5-3-9(4-6-10)14-11(15)12-13-7-8-17-12/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide?
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).