4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C9H7F3N2S — CID 116969901

IUPAC4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)3-8-14-7(5-15-8)6-1-2-13-4-6/h1-2,4-5,13H,3H2
InChIKeyZXFVXTZSSFDHPA-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.24
Rot. Bonds2

About 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 116969901) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID116969901
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)3-8-14-7(5-15-8)6-1-2-13-4-6/h1-2,4-5,13H,3H2
InChIKeyZXFVXTZSSFDHPA-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 116969901) is 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1nc(-c2cc[nH]c2)cs1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is ZXFVXTZSSFDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c10-9(11,12)3-8-14-7(5-15-8)6-1-2-13-4-6/h1-2,4-5,13H,3H2.
What are the key properties of 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 232.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 116969901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).