3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide

C6H7ClN4O2S — CID 107649871

IUPAC3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)Nc1cnns1
InChIInChI=1S/C6H7ClN4O2S/c7-2-1-4(12)9-6(13)10-5-3-8-11-14-5/h3H,1-2H2,(H2,9,10,12,13)
InChIKeyGBGHWIJVLUTQNR-UHFFFAOYSA-N
MW234.67 g/mol
LogP0.82
Rot. Bonds3

About 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide

3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide (PubChem CID 107649871) has the molecular formula C6H7ClN4O2S and a molecular weight of 234.67 g/mol. Its IUPAC name is 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide
PubChem CID107649871
Molecular FormulaC6H7ClN4O2S
Molecular Weight234.67 g/mol
Exact Mass234.00
IUPAC Name3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)Nc1cnns1
InChIInChI=1S/C6H7ClN4O2S/c7-2-1-4(12)9-6(13)10-5-3-8-11-14-5/h3H,1-2H2,(H2,9,10,12,13)
InChIKeyGBGHWIJVLUTQNR-UHFFFAOYSA-N
XLogP0.82
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.67
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide?
The IUPAC name of 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide (CID 107649871) is 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide.
What is the SMILES notation for 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide?
The canonical SMILES for 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide is O=C(CCCl)NC(=O)Nc1cnns1.
What is the InChIKey of 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide?
The InChIKey is GBGHWIJVLUTQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2S/c7-2-1-4(12)9-6(13)10-5-3-8-11-14-5/h3H,1-2H2,(H2,9,10,12,13).
What are the key properties of 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide?
3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide has a molecular weight of 234.67 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide is sourced from PubChem (CID 107649871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).