N-methylthiadiazole-5-carboxamide

C4H5N3OS — CID 61037545

IUPACN-methylthiadiazole-5-carboxamide
SMILESCNC(=O)c1cnns1
InChIInChI=1S/C4H5N3OS/c1-5-4(8)3-2-6-7-9-3/h2H,1H3,(H,5,8)
InChIKeyOSTCTPBQSIJSPS-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.10
Rot. Bonds1

About N-methylthiadiazole-5-carboxamide

N-methylthiadiazole-5-carboxamide (PubChem CID 61037545) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methylthiadiazole-5-carboxamide
PubChem CID61037545
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC NameN-methylthiadiazole-5-carboxamide
SMILESCNC(=O)c1cnns1
InChIInChI=1S/C4H5N3OS/c1-5-4(8)3-2-6-7-9-3/h2H,1H3,(H,5,8)
InChIKeyOSTCTPBQSIJSPS-UHFFFAOYSA-N
XLogP-0.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-methylthiadiazole-5-carboxamide (CID 61037545) is N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-methylthiadiazole-5-carboxamide is CNC(=O)c1cnns1.
What is the InChIKey of N-methylthiadiazole-5-carboxamide?
The InChIKey is OSTCTPBQSIJSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-5-4(8)3-2-6-7-9-3/h2H,1H3,(H,5,8).
What are the key properties of N-methylthiadiazole-5-carboxamide?
N-methylthiadiazole-5-carboxamide has a molecular weight of 143.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 61037545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).