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

C13H14N2OS — CID 63049772

IUPACN-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cscn1
InChIInChI=1S/C13H14N2OS/c1-15(13(16)12-9-17-10-14-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyITWHCTQZTKEDHW-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.46
Rot. Bonds4

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

N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63049772) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID63049772
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cscn1
InChIInChI=1S/C13H14N2OS/c1-15(13(16)12-9-17-10-14-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyITWHCTQZTKEDHW-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(1,3-thiazole-4-carbonyl)amino]ethyl]benzoic acid
CID 104547074
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 138044082
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
CID 80710112
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63050087
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 63049772) is N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is CN(CCc1ccccc1)C(=O)c1cscn1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ITWHCTQZTKEDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-15(13(16)12-9-17-10-14-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).