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

C14H16N2O2S — CID 82155166

IUPACN-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1nc(CO)cs1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-2-16(12-6-4-3-5-7-12)14(18)8-13-15-11(9-17)10-19-13/h3-7,10,17H,2,8-9H2,1H3
InChIKeyGKTJWXWSWOSFMC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.23
Rot. Bonds5

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

N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 82155166) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID82155166
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1nc(CO)cs1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-2-16(12-6-4-3-5-7-12)14(18)8-13-15-11(9-17)10-19-13/h3-7,10,17H,2,8-9H2,1H3
InChIKeyGKTJWXWSWOSFMC-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide (CID 82155166) is N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide is CCN(C(=O)Cc1nc(CO)cs1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is GKTJWXWSWOSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-16(12-6-4-3-5-7-12)14(18)8-13-15-11(9-17)10-19-13/h3-7,10,17H,2,8-9H2,1H3.
What are the key properties of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 276.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 82155166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).