N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide

C13H14N2OS — CID 110857781

IUPACN-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C13H14N2OS/c1-3-10-4-6-11(7-5-10)15-13(16)12-8-14-9(2)17-12/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyWDRZZZUDKXTNBH-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.27
Rot. Bonds3

About N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110857781) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110857781
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C13H14N2OS/c1-3-10-4-6-11(7-5-10)15-13(16)12-8-14-9(2)17-12/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyWDRZZZUDKXTNBH-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103805568
N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 7213179

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 110857781) is N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(NC(=O)c2cnc(C)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WDRZZZUDKXTNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-10-4-6-11(7-5-10)15-13(16)12-8-14-9(2)17-12/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110857781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).