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

C7H10N2OS — CID 57168066

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cscn1
InChIInChI=1S/C7H10N2OS/c1-6(10)8-3-2-7-4-11-5-9-7/h4-5H,2-3H2,1H3,(H,8,10)
InChIKeyHZJSCAJYXJLSHJ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.82
Rot. Bonds3

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

N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 57168066) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID57168066
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cscn1
InChIInChI=1S/C7H10N2OS/c1-6(10)8-3-2-7-4-11-5-9-7/h4-5H,2-3H2,1H3,(H,8,10)
InChIKeyHZJSCAJYXJLSHJ-UHFFFAOYSA-N
XLogP0.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 57168066) is N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is CC(=O)NCCc1cscn1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is HZJSCAJYXJLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6(10)8-3-2-7-4-11-5-9-7/h4-5H,2-3H2,1H3,(H,8,10).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 170.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 57168066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).