2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile

C9H6N2S2 — CID 1095923

IUPAC2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CCc1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N2S2/c10-4-3-9-11-7(6-13-9)8-2-1-5-12-8/h1-2,5-6H,3H2
InChIKeyAQWPRUDIOFZNDF-UHFFFAOYSA-N
MW206.30 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile

2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 1095923) has the molecular formula C9H6N2S2 and a molecular weight of 206.30 g/mol. Its IUPAC name is 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile
PubChem CID1095923
Molecular FormulaC9H6N2S2
Molecular Weight206.30 g/mol
Exact Mass206.00
IUPAC Name2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CCc1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N2S2/c10-4-3-9-11-7(6-13-9)8-2-1-5-12-8/h1-2,5-6H,3H2
InChIKeyAQWPRUDIOFZNDF-UHFFFAOYSA-N
XLogP2.94
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile (CID 1095923) is 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile is N#CCc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is AQWPRUDIOFZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S2/c10-4-3-9-11-7(6-13-9)8-2-1-5-12-8/h1-2,5-6H,3H2.
What are the key properties of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile?
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 206.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 1095923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).