4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C15H8F3N3OS — CID 2525051

IUPAC4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C15H8F3N3OS/c16-15(17,18)13-5-6-19-21(13)14-20-10(8-23-14)12-7-9-3-1-2-4-11(9)22-12/h1-8H
InChIKeySVDQXWKFGHWVMC-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.76
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 2525051) has the molecular formula C15H8F3N3OS and a molecular weight of 335.31 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID2525051
Molecular FormulaC15H8F3N3OS
Molecular Weight335.31 g/mol
Exact Mass335.03
IUPAC Name4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C15H8F3N3OS/c16-15(17,18)13-5-6-19-21(13)14-20-10(8-23-14)12-7-9-3-1-2-4-11(9)22-12/h1-8H
InChIKeySVDQXWKFGHWVMC-UHFFFAOYSA-N
XLogP4.76
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 2525051) is 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1ccnn1-c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is SVDQXWKFGHWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3OS/c16-15(17,18)13-5-6-19-21(13)14-20-10(8-23-14)12-7-9-3-1-2-4-11(9)22-12/h1-8H.
What are the key properties of 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 335.31 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 2525051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).