N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C6H10N4O2S — CID 43416640

IUPACN-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NCCO
InChIInChI=1S/C6H10N4O2S/c11-2-1-7-5(12)3-13-6-8-4-9-10-6/h4,11H,1-3H2,(H,7,12)(H,8,9,10)
InChIKeySSQHYQQWVGPLKP-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.99
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 43416640) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID43416640
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC NameN-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NCCO
InChIInChI=1S/C6H10N4O2S/c11-2-1-7-5(12)3-13-6-8-4-9-10-6/h4,11H,1-3H2,(H,7,12)(H,8,9,10)
InChIKeySSQHYQQWVGPLKP-UHFFFAOYSA-N
XLogP-0.99
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 43416640) is N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is SSQHYQQWVGPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c11-2-1-7-5(12)3-13-6-8-4-9-10-6/h4,11H,1-3H2,(H,7,12)(H,8,9,10).
What are the key properties of N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 202.24 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 43416640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).