N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide

C8H7N3OS2 — CID 47259886

IUPACN-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cnns1
InChIInChI=1S/C8H7N3OS2/c12-8(7-5-10-11-14-7)9-4-6-2-1-3-13-6/h1-3,5H,4H2,(H,9,12)
InChIKeyJUMYRVRVKWGABZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.53
Rot. Bonds3

About N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide

N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 47259886) has the molecular formula C8H7N3OS2 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID47259886
Molecular FormulaC8H7N3OS2
Molecular Weight225.30 g/mol
Exact Mass225.00
IUPAC NameN-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cnns1
InChIInChI=1S/C8H7N3OS2/c12-8(7-5-10-11-14-7)9-4-6-2-1-3-13-6/h1-3,5H,4H2,(H,9,12)
InChIKeyJUMYRVRVKWGABZ-UHFFFAOYSA-N
XLogP1.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide (CID 47259886) is N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide is O=C(NCc1cccs1)c1cnns1.
What is the InChIKey of N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is JUMYRVRVKWGABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS2/c12-8(7-5-10-11-14-7)9-4-6-2-1-3-13-6/h1-3,5H,4H2,(H,9,12).
What are the key properties of N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47259886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).