N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide

C5H7N3OS — CID 130991171

IUPACN,3-dimethyl-1,2,4-thiadiazole-5-carboxamide
SMILESCNC(=O)c1nc(C)ns1
InChIInChI=1S/C5H7N3OS/c1-3-7-5(10-8-3)4(9)6-2/h1-2H3,(H,6,9)
InChIKeyUTNVWIAKHCABJZ-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.21
Rot. Bonds1

About N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide

N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 130991171) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID130991171
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN,3-dimethyl-1,2,4-thiadiazole-5-carboxamide
SMILESCNC(=O)c1nc(C)ns1
InChIInChI=1S/C5H7N3OS/c1-3-7-5(10-8-3)4(9)6-2/h1-2H3,(H,6,9)
InChIKeyUTNVWIAKHCABJZ-UHFFFAOYSA-N
XLogP0.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide (CID 130991171) is N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide is CNC(=O)c1nc(C)ns1.
What is the InChIKey of N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is UTNVWIAKHCABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3-7-5(10-8-3)4(9)6-2/h1-2H3,(H,6,9).
What are the key properties of N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide?
N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 157.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 130991171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).