N-(1,2,4-thiadiazol-5-ylmethyl)formamide

C4H5N3OS — CID 87322312

IUPACN-(1,2,4-thiadiazol-5-ylmethyl)formamide
SMILESO=CNCc1ncns1
InChIInChI=1S/C4H5N3OS/c8-3-5-1-4-6-2-7-9-4/h2-3H,1H2,(H,5,8)
InChIKeyRKOHYLYQVRGSKA-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.22
Rot. Bonds3

About N-(1,2,4-thiadiazol-5-ylmethyl)formamide

N-(1,2,4-thiadiazol-5-ylmethyl)formamide (PubChem CID 87322312) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is N-(1,2,4-thiadiazol-5-ylmethyl)formamide.

Molecular Properties

Compound NameN-(1,2,4-thiadiazol-5-ylmethyl)formamide
PubChem CID87322312
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC NameN-(1,2,4-thiadiazol-5-ylmethyl)formamide
SMILESO=CNCc1ncns1
InChIInChI=1S/C4H5N3OS/c8-3-5-1-4-6-2-7-9-4/h2-3H,1H2,(H,5,8)
InChIKeyRKOHYLYQVRGSKA-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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Related Compounds

N-(1,2,4-thiadiazol-3-ylmethyl)formamide
CID 87172169
N-[3-(1,2,4-thiadiazol-5-yl)propyl]formamide
CID 87321924
N-[2-(1,2,4-thiadiazol-5-yl)ethyl]formamide
CID 87322167
N-[(5-amino-1,2,4-thiadiazol-3-yl)methyl]formamide
CID 87561586
2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide
CID 82411866

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-thiadiazol-5-ylmethyl)formamide?
The IUPAC name of N-(1,2,4-thiadiazol-5-ylmethyl)formamide (CID 87322312) is N-(1,2,4-thiadiazol-5-ylmethyl)formamide.
What is the SMILES notation for N-(1,2,4-thiadiazol-5-ylmethyl)formamide?
The canonical SMILES for N-(1,2,4-thiadiazol-5-ylmethyl)formamide is O=CNCc1ncns1.
What is the InChIKey of N-(1,2,4-thiadiazol-5-ylmethyl)formamide?
The InChIKey is RKOHYLYQVRGSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c8-3-5-1-4-6-2-7-9-4/h2-3H,1H2,(H,5,8).
What are the key properties of N-(1,2,4-thiadiazol-5-ylmethyl)formamide?
N-(1,2,4-thiadiazol-5-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-(1,2,4-thiadiazol-5-ylmethyl)formamide is sourced from PubChem (CID 87322312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).