N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide

C6H7N3O2S — CID 174609617

IUPACN-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC(=O)Cc1nncs1
InChIInChI=1S/C6H7N3O2S/c1-4(10)8-5(11)2-6-9-7-3-12-6/h3H,2H2,1H3,(H,8,10,11)
InChIKeyWIILSPDLYLWCMK-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.26
Rot. Bonds2

About N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide

N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 174609617) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID174609617
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC NameN-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC(=O)Cc1nncs1
InChIInChI=1S/C6H7N3O2S/c1-4(10)8-5(11)2-6-9-7-3-12-6/h3H,2H2,1H3,(H,8,10,11)
InChIKeyWIILSPDLYLWCMK-UHFFFAOYSA-N
XLogP-0.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide (CID 174609617) is N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide is CC(=O)NC(=O)Cc1nncs1.
What is the InChIKey of N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WIILSPDLYLWCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-4(10)8-5(11)2-6-9-7-3-12-6/h3H,2H2,1H3,(H,8,10,11).
What are the key properties of N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide?
N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 185.21 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 174609617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).