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

C5H7N3OS — CID 87322167

IUPACN-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide
SMILESO=CNCCc1ncns1
InChIInChI=1S/C5H7N3OS/c9-4-6-2-1-5-7-3-8-10-5/h3-4H,1-2H2,(H,6,9)
InChIKeyVKUDMZSJFBDWAV-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.17
Rot. Bonds4

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

N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide (PubChem CID 87322167) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide
PubChem CID87322167
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide
SMILESO=CNCCc1ncns1
InChIInChI=1S/C5H7N3OS/c9-4-6-2-1-5-7-3-8-10-5/h3-4H,1-2H2,(H,6,9)
InChIKeyVKUDMZSJFBDWAV-UHFFFAOYSA-N
XLogP-0.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.17
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-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide?
The IUPAC name of N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide (CID 87322167) is N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide?
The canonical SMILES for N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide is O=CNCCc1ncns1.
What is the InChIKey of N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide?
The InChIKey is VKUDMZSJFBDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c9-4-6-2-1-5-7-3-8-10-5/h3-4H,1-2H2,(H,6,9).
What are the key properties of N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide?
N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide has a molecular weight of 157.20 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide is sourced from PubChem (CID 87322167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).