N-methyl-1,2,5-thiadiazole-3-carboxamide

C4H5N3OS — CID 23525713

IUPACN-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCNC(=O)c1cnsn1
InChIInChI=1S/C4H5N3OS/c1-5-4(8)3-2-6-9-7-3/h2H,1H3,(H,5,8)
InChIKeyOVVIMGVRYQQAKD-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.10
Rot. Bonds1

About N-methyl-1,2,5-thiadiazole-3-carboxamide

N-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 23525713) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is N-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID23525713
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC NameN-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCNC(=O)c1cnsn1
InChIInChI=1S/C4H5N3OS/c1-5-4(8)3-2-6-9-7-3/h2H,1H3,(H,5,8)
InChIKeyOVVIMGVRYQQAKD-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-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-methyl-1,2,5-thiadiazole-3-carboxamide (CID 23525713) is N-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-methyl-1,2,5-thiadiazole-3-carboxamide is CNC(=O)c1cnsn1.
What is the InChIKey of N-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is OVVIMGVRYQQAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-5-4(8)3-2-6-9-7-3/h2H,1H3,(H,5,8).
What are the key properties of N-methyl-1,2,5-thiadiazole-3-carboxamide?
N-methyl-1,2,5-thiadiazole-3-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-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 23525713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).