N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide

C14H16N2O2S — CID 110696380

IUPACN-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nc(C)c(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-4-18-12-7-5-11(6-8-12)16-13(17)14-15-9(2)10(3)19-14/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyBOORVZPDGQDDGJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.41
Rot. Bonds4

About N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide

N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 110696380) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID110696380
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nc(C)c(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-4-18-12-7-5-11(6-8-12)16-13(17)14-15-9(2)10(3)19-14/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyBOORVZPDGQDDGJ-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696392
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
5-[3-(4-ethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354339
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 110696380) is N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide is CCOc1ccc(NC(=O)c2nc(C)c(C)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is BOORVZPDGQDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-12-7-5-11(6-8-12)16-13(17)14-15-9(2)10(3)19-14/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).