N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide

C14H16N2OS — CID 3236182

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide
SMILESCc1nc(CCNC(=O)Cc2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c1-11-16-13(10-18-11)7-8-15-14(17)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,17)
InChIKeyUSSXBNLZYDMILA-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide (PubChem CID 3236182) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide
PubChem CID3236182
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide
SMILESCc1nc(CCNC(=O)Cc2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c1-11-16-13(10-18-11)7-8-15-14(17)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,17)
InChIKeyUSSXBNLZYDMILA-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide (CID 3236182) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide is Cc1nc(CCNC(=O)Cc2ccccc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide?
The InChIKey is USSXBNLZYDMILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-16-13(10-18-11)7-8-15-14(17)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide has a molecular weight of 260.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 3236182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).