N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide

C6H9N3OS — CID 87321924

IUPACN-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide
SMILESO=CNCCCc1ncns1
InChIInChI=1S/C6H9N3OS/c10-5-7-3-1-2-6-8-4-9-11-6/h4-5H,1-3H2,(H,7,10)
InChIKeyPRRPNCPVSAWZMG-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.22
Rot. Bonds5

About N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide

N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide (PubChem CID 87321924) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide
PubChem CID87321924
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide
SMILESO=CNCCCc1ncns1
InChIInChI=1S/C6H9N3OS/c10-5-7-3-1-2-6-8-4-9-11-6/h4-5H,1-3H2,(H,7,10)
InChIKeyPRRPNCPVSAWZMG-UHFFFAOYSA-N
XLogP0.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide?
The IUPAC name of N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide (CID 87321924) is N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide.
What is the SMILES notation for N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide?
The canonical SMILES for N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide is O=CNCCCc1ncns1.
What is the InChIKey of N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide?
The InChIKey is PRRPNCPVSAWZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c10-5-7-3-1-2-6-8-4-9-11-6/h4-5H,1-3H2,(H,7,10).
What are the key properties of N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide?
N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide has a molecular weight of 171.23 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide is sourced from PubChem (CID 87321924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).