5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole

C8H3F4NS2 — CID 14468831

IUPAC5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1sc(-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C8H3F4NS2/c9-6-5(8(10,11)12)13-7(15-6)4-2-1-3-14-4/h1-3H
InChIKeyDHGDTNLLQYVJSR-UHFFFAOYSA-N
MW253.25 g/mol
LogP4.03
Rot. Bonds1

About 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole

5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 14468831) has the molecular formula C8H3F4NS2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID14468831
Molecular FormulaC8H3F4NS2
Molecular Weight253.25 g/mol
Exact Mass252.96
IUPAC Name5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1sc(-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C8H3F4NS2/c9-6-5(8(10,11)12)13-7(15-6)4-2-1-3-14-4/h1-3H
InChIKeyDHGDTNLLQYVJSR-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 14468831) is 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole is Fc1sc(-c2cccs2)nc1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DHGDTNLLQYVJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4NS2/c9-6-5(8(10,11)12)13-7(15-6)4-2-1-3-14-4/h1-3H.
What are the key properties of 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 253.25 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 14468831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).