N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

C13H14N2OS — CID 1497759

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10(16)14-8-7-13-15-12(9-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyOIQUHHCWTGNAEI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 1497759) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID1497759
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10(16)14-8-7-13-15-12(9-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyOIQUHHCWTGNAEI-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 75520278
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
3-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 54773756
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 1497759) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is OIQUHHCWTGNAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(16)14-8-7-13-15-12(9-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 246.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 1497759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).