N-ethylthiadiazole-5-carboxamide

C5H7N3OS — CID 61037546

IUPACN-ethylthiadiazole-5-carboxamide
SMILESCCNC(=O)c1cnns1
InChIInChI=1S/C5H7N3OS/c1-2-6-5(9)4-3-7-8-10-4/h3H,2H2,1H3,(H,6,9)
InChIKeyVHDJSDVUBLBFBM-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.29
Rot. Bonds2

About N-ethylthiadiazole-5-carboxamide

N-ethylthiadiazole-5-carboxamide (PubChem CID 61037546) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethylthiadiazole-5-carboxamide
PubChem CID61037546
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN-ethylthiadiazole-5-carboxamide
SMILESCCNC(=O)c1cnns1
InChIInChI=1S/C5H7N3OS/c1-2-6-5(9)4-3-7-8-10-4/h3H,2H2,1H3,(H,6,9)
InChIKeyVHDJSDVUBLBFBM-UHFFFAOYSA-N
XLogP0.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-ethylthiadiazole-5-carboxamide (CID 61037546) is N-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-ethylthiadiazole-5-carboxamide is CCNC(=O)c1cnns1.
What is the InChIKey of N-ethylthiadiazole-5-carboxamide?
The InChIKey is VHDJSDVUBLBFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-2-6-5(9)4-3-7-8-10-4/h3H,2H2,1H3,(H,6,9).
What are the key properties of N-ethylthiadiazole-5-carboxamide?
N-ethylthiadiazole-5-carboxamide has a molecular weight of 157.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 61037546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).