2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile

C8H8F3N3S2 — CID 103371268

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
SMILESCCc1nsc(SCC(C#N)C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3S2/c1-2-6-13-7(16-14-6)15-4-5(3-12)8(9,10)11/h5H,2,4H2,1H3
InChIKeyYBGPEMQKCZOVQH-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.89
Rot. Bonds4

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103371268) has the molecular formula C8H8F3N3S2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
PubChem CID103371268
Molecular FormulaC8H8F3N3S2
Molecular Weight267.30 g/mol
Exact Mass267.01
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
SMILESCCc1nsc(SCC(C#N)C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3S2/c1-2-6-13-7(16-14-6)15-4-5(3-12)8(9,10)11/h5H,2,4H2,1H3
InChIKeyYBGPEMQKCZOVQH-UHFFFAOYSA-N
XLogP2.89
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile (CID 103371268) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile is CCc1nsc(SCC(C#N)C(F)(F)F)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is YBGPEMQKCZOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3S2/c1-2-6-13-7(16-14-6)15-4-5(3-12)8(9,10)11/h5H,2,4H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 267.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103371268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).