4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole

C13H7F3N2S2 — CID 70395425

IUPAC4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole
SMILESFC(F)(F)c1cccc(-c2snnc2-c2cccs2)c1
InChIInChI=1S/C13H7F3N2S2/c14-13(15,16)9-4-1-3-8(7-9)12-11(17-18-20-12)10-5-2-6-19-10/h1-7H
InChIKeyHWQKGOGRMQMAOI-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.95
Rot. Bonds2

About 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole

4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole (PubChem CID 70395425) has the molecular formula C13H7F3N2S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole
PubChem CID70395425
Molecular FormulaC13H7F3N2S2
Molecular Weight312.34 g/mol
Exact Mass312.00
IUPAC Name4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole
SMILESFC(F)(F)c1cccc(-c2snnc2-c2cccs2)c1
InChIInChI=1S/C13H7F3N2S2/c14-13(15,16)9-4-1-3-8(7-9)12-11(17-18-20-12)10-5-2-6-19-10/h1-7H
InChIKeyHWQKGOGRMQMAOI-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole?
The IUPAC name of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole (CID 70395425) is 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole.
What is the SMILES notation for 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole?
The canonical SMILES for 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole is FC(F)(F)c1cccc(-c2snnc2-c2cccs2)c1.
What is the InChIKey of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole?
The InChIKey is HWQKGOGRMQMAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2S2/c14-13(15,16)9-4-1-3-8(7-9)12-11(17-18-20-12)10-5-2-6-19-10/h1-7H.
What are the key properties of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole?
4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole has a molecular weight of 312.34 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]thiadiazole is sourced from PubChem (CID 70395425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).