N-ethyl-N-methylthiadiazole-5-carboxamide

C6H9N3OS — CID 127017419

IUPACN-ethyl-N-methylthiadiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnns1
InChIInChI=1S/C6H9N3OS/c1-3-9(2)6(10)5-4-7-8-11-5/h4H,3H2,1-2H3
InChIKeyPEKIMCLOMWOAGR-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.63
Rot. Bonds2

About N-ethyl-N-methylthiadiazole-5-carboxamide

N-ethyl-N-methylthiadiazole-5-carboxamide (PubChem CID 127017419) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-ethyl-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methylthiadiazole-5-carboxamide
PubChem CID127017419
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-ethyl-N-methylthiadiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnns1
InChIInChI=1S/C6H9N3OS/c1-3-9(2)6(10)5-4-7-8-11-5/h4H,3H2,1-2H3
InChIKeyPEKIMCLOMWOAGR-UHFFFAOYSA-N
XLogP0.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-methylthiadiazole-5-carboxamide (CID 127017419) is N-ethyl-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-methylthiadiazole-5-carboxamide is CCN(C)C(=O)c1cnns1.
What is the InChIKey of N-ethyl-N-methylthiadiazole-5-carboxamide?
The InChIKey is PEKIMCLOMWOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3-9(2)6(10)5-4-7-8-11-5/h4H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methylthiadiazole-5-carboxamide?
N-ethyl-N-methylthiadiazole-5-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 127017419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).