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

C13H14N2OS — CID 3244200

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2OS/c1-10(16)14-8-7-12-9-17-13(15-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyBNHZMUIJAKRPJM-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.49
Rot. Bonds4

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 3244200) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID3244200
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2OS/c1-10(16)14-8-7-12-9-17-13(15-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyBNHZMUIJAKRPJM-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

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 560765
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2475602
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-{[(4-Phenyl-1,3-thiazol-2-yl)methyl]thio}ethanohydrazide
CID 2821259

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 3244200) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is CC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is BNHZMUIJAKRPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(16)14-8-7-12-9-17-13(15-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
N-[2-(2-phenyl-1,3-thiazol-4-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-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 3244200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).