N-(thiadiazol-4-ylmethyl)formamide

C4H5N3OS — CID 87925028

IUPACN-(thiadiazol-4-ylmethyl)formamide
SMILESO=CNCc1csnn1
InChIInChI=1S/C4H5N3OS/c8-3-5-1-4-2-9-7-6-4/h2-3H,1H2,(H,5,8)
InChIKeyPFAQGXYRBQPXMC-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.22
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)formamide

N-(thiadiazol-4-ylmethyl)formamide (PubChem CID 87925028) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)formamide.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)formamide
PubChem CID87925028
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC NameN-(thiadiazol-4-ylmethyl)formamide
SMILESO=CNCc1csnn1
InChIInChI=1S/C4H5N3OS/c8-3-5-1-4-2-9-7-6-4/h2-3H,1H2,(H,5,8)
InChIKeyPFAQGXYRBQPXMC-UHFFFAOYSA-N
XLogP-0.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)formamide?
The IUPAC name of N-(thiadiazol-4-ylmethyl)formamide (CID 87925028) is N-(thiadiazol-4-ylmethyl)formamide.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)formamide?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)formamide is O=CNCc1csnn1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)formamide?
The InChIKey is PFAQGXYRBQPXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c8-3-5-1-4-2-9-7-6-4/h2-3H,1H2,(H,5,8).
What are the key properties of N-(thiadiazol-4-ylmethyl)formamide?
N-(thiadiazol-4-ylmethyl)formamide has a molecular weight of 143.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)formamide is sourced from PubChem (CID 87925028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).