N,N,4-trimethylthiadiazole-5-carboxamide

C6H9N3OS — CID 1487328

IUPACN,N,4-trimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C
InChIInChI=1S/C6H9N3OS/c1-4-5(11-8-7-4)6(10)9(2)3/h1-3H3
InChIKeyZNADJCXSRLQLRF-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.55
Rot. Bonds1

About N,N,4-trimethylthiadiazole-5-carboxamide

N,N,4-trimethylthiadiazole-5-carboxamide (PubChem CID 1487328) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N,N,4-trimethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethylthiadiazole-5-carboxamide
PubChem CID1487328
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN,N,4-trimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C
InChIInChI=1S/C6H9N3OS/c1-4-5(11-8-7-4)6(10)9(2)3/h1-3H3
InChIKeyZNADJCXSRLQLRF-UHFFFAOYSA-N
XLogP0.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylthiadiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethylthiadiazole-5-carboxamide (CID 1487328) is N,N,4-trimethylthiadiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethylthiadiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethylthiadiazole-5-carboxamide?
The InChIKey is ZNADJCXSRLQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-5(11-8-7-4)6(10)9(2)3/h1-3H3.
What are the key properties of N,N,4-trimethylthiadiazole-5-carboxamide?
N,N,4-trimethylthiadiazole-5-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylthiadiazole-5-carboxamide is sourced from PubChem (CID 1487328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).