N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C5H8N4OS — CID 12639716

IUPACN-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(NC)s1
InChIInChI=1S/C5H8N4OS/c1-6-3(10)4-8-9-5(7-2)11-4/h1-2H3,(H,6,10)(H,7,9)
InChIKeyPYSBKOODRFDHIG-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.06
Rot. Bonds2

About N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 12639716) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID12639716
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC NameN-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(NC)s1
InChIInChI=1S/C5H8N4OS/c1-6-3(10)4-8-9-5(7-2)11-4/h1-2H3,(H,6,10)(H,7,9)
InChIKeyPYSBKOODRFDHIG-UHFFFAOYSA-N
XLogP-0.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 12639716) is N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNC(=O)c1nnc(NC)s1.
What is the InChIKey of N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PYSBKOODRFDHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-6-3(10)4-8-9-5(7-2)11-4/h1-2H3,(H,6,10)(H,7,9).
What are the key properties of N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 172.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 12639716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).