2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole

C8H5F3N2OS — CID 19010567

IUPAC2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole
SMILESFC(F)(F)Oc1csc(-n2cccc2)n1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-6-5-15-7(12-6)13-3-1-2-4-13/h1-5H
InChIKeyYBBZAOAMQUMLTM-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.83
Rot. Bonds2

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

2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole (PubChem CID 19010567) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole
PubChem CID19010567
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole
SMILESFC(F)(F)Oc1csc(-n2cccc2)n1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-6-5-15-7(12-6)13-3-1-2-4-13/h1-5H
InChIKeyYBBZAOAMQUMLTM-UHFFFAOYSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole?
The IUPAC name of 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole (CID 19010567) is 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole.
What is the SMILES notation for 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole?
The canonical SMILES for 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole is FC(F)(F)Oc1csc(-n2cccc2)n1.
What is the InChIKey of 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole?
The InChIKey is YBBZAOAMQUMLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)14-6-5-15-7(12-6)13-3-1-2-4-13/h1-5H.
What are the key properties of 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole?
2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole has a molecular weight of 234.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole is sourced from PubChem (CID 19010567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).