4-methylthiadiazole-5-carboxamide

C4H5N3OS — CID 2776853

IUPAC4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(N)=O
InChIInChI=1S/C4H5N3OS/c1-2-3(4(5)8)9-7-6-2/h1H3,(H2,5,8)
InChIKeySJWSGYOCBFJBAX-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.05
Rot. Bonds1

About 4-methylthiadiazole-5-carboxamide

4-methylthiadiazole-5-carboxamide (PubChem CID 2776853) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is 4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methylthiadiazole-5-carboxamide
PubChem CID2776853
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(N)=O
InChIInChI=1S/C4H5N3OS/c1-2-3(4(5)8)9-7-6-2/h1H3,(H2,5,8)
InChIKeySJWSGYOCBFJBAX-UHFFFAOYSA-N
XLogP-0.05
TPSA68.87 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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-methylthiadiazole-5-carboxamide (CID 2776853) is 4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(N)=O.
What is the InChIKey of 4-methylthiadiazole-5-carboxamide?
The InChIKey is SJWSGYOCBFJBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-2-3(4(5)8)9-7-6-2/h1H3,(H2,5,8).
What are the key properties of 4-methylthiadiazole-5-carboxamide?
4-methylthiadiazole-5-carboxamide has a molecular weight of 143.17 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2776853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).