N-(4-methylthiadiazol-5-yl)formamide

C4H5N3OS — CID 174548107

IUPACN-(4-methylthiadiazol-5-yl)formamide
SMILESCc1nnsc1NC=O
InChIInChI=1S/C4H5N3OS/c1-3-4(5-2-8)9-7-6-3/h2H,1H3,(H,5,8)
InChIKeyZFJHMCXEJXTWEN-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.41
Rot. Bonds2

About N-(4-methylthiadiazol-5-yl)formamide

N-(4-methylthiadiazol-5-yl)formamide (PubChem CID 174548107) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is N-(4-methylthiadiazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-methylthiadiazol-5-yl)formamide
PubChem CID174548107
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC NameN-(4-methylthiadiazol-5-yl)formamide
SMILESCc1nnsc1NC=O
InChIInChI=1S/C4H5N3OS/c1-3-4(5-2-8)9-7-6-3/h2H,1H3,(H,5,8)
InChIKeyZFJHMCXEJXTWEN-UHFFFAOYSA-N
XLogP0.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.41
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

methyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 1479490
(4-Methylthiadiazol-5-yl)carbamic acid
CID 20532032
(4-Methylthiadiazol-5-yl)urea
CID 70510727
N,4-dimethylthiadiazol-5-amine;formic acid
CID 144532878
1-(4-Methylthiadiazol-5-yl)-3-propylurea
CID 4541789
Methyl(4-methyl(1,2,3-thiadiazol-5-yl))amine
CID 55274611

Frequently Asked Questions

What is the IUPAC name of N-(4-methylthiadiazol-5-yl)formamide?
The IUPAC name of N-(4-methylthiadiazol-5-yl)formamide (CID 174548107) is N-(4-methylthiadiazol-5-yl)formamide.
What is the SMILES notation for N-(4-methylthiadiazol-5-yl)formamide?
The canonical SMILES for N-(4-methylthiadiazol-5-yl)formamide is Cc1nnsc1NC=O.
What is the InChIKey of N-(4-methylthiadiazol-5-yl)formamide?
The InChIKey is ZFJHMCXEJXTWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-3-4(5-2-8)9-7-6-3/h2H,1H3,(H,5,8).
What are the key properties of N-(4-methylthiadiazol-5-yl)formamide?
N-(4-methylthiadiazol-5-yl)formamide has a molecular weight of 143.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylthiadiazol-5-yl)formamide is sourced from PubChem (CID 174548107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).