N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C6H9N3O2S2 — CID 43510118

IUPACN-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)NCCO
InChIInChI=1S/C6H9N3O2S2/c10-2-1-7-5(11)3-12-6-9-8-4-13-6/h4,10H,1-3H2,(H,7,11)
InChIKeyNUVLABVYLLHSLK-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.26
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 43510118) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID43510118
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC NameN-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)NCCO
InChIInChI=1S/C6H9N3O2S2/c10-2-1-7-5(11)3-12-6-9-8-4-13-6/h4,10H,1-3H2,(H,7,11)
InChIKeyNUVLABVYLLHSLK-UHFFFAOYSA-N
XLogP-0.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 43510118) is N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is NUVLABVYLLHSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c10-2-1-7-5(11)3-12-6-9-8-4-13-6/h4,10H,1-3H2,(H,7,11).
What are the key properties of N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 219.29 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 43510118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).