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

C9H9N3OS2 — CID 47259864

IUPACN-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1cnns1
InChIInChI=1S/C9H9N3OS2/c13-9(8-6-11-12-15-8)10-4-3-7-2-1-5-14-7/h1-2,5-6H,3-4H2,(H,10,13)
InChIKeyOLIGLXZGOYCDOM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.57
Rot. Bonds4

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

N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide (PubChem CID 47259864) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide
PubChem CID47259864
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1cnns1
InChIInChI=1S/C9H9N3OS2/c13-9(8-6-11-12-15-8)10-4-3-7-2-1-5-14-7/h1-2,5-6H,3-4H2,(H,10,13)
InChIKeyOLIGLXZGOYCDOM-UHFFFAOYSA-N
XLogP1.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide (CID 47259864) is N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide is O=C(NCCc1cccs1)c1cnns1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is OLIGLXZGOYCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c13-9(8-6-11-12-15-8)10-4-3-7-2-1-5-14-7/h1-2,5-6H,3-4H2,(H,10,13).
What are the key properties of N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide?
N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47259864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).