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

C16H10F3N3OS — CID 2525031

IUPAC4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1c(-c2csc(-n3nccc3C(F)(F)F)n2)oc2ccccc12
InChIInChI=1S/C16H10F3N3OS/c1-9-10-4-2-3-5-12(10)23-14(9)11-8-24-15(21-11)22-13(6-7-20-22)16(17,18)19/h2-8H,1H3
InChIKeyCFZHEBLHDKHCKG-UHFFFAOYSA-N
MW349.34 g/mol
LogP5.07
Rot. Bonds2

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

4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 2525031) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID2525031
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1c(-c2csc(-n3nccc3C(F)(F)F)n2)oc2ccccc12
InChIInChI=1S/C16H10F3N3OS/c1-9-10-4-2-3-5-12(10)23-14(9)11-8-24-15(21-11)22-13(6-7-20-22)16(17,18)19/h2-8H,1H3
InChIKeyCFZHEBLHDKHCKG-UHFFFAOYSA-N
XLogP5.07
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 2525031) is 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is Cc1c(-c2csc(-n3nccc3C(F)(F)F)n2)oc2ccccc12.
What is the InChIKey of 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is CFZHEBLHDKHCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c1-9-10-4-2-3-5-12(10)23-14(9)11-8-24-15(21-11)22-13(6-7-20-22)16(17,18)19/h2-8H,1H3.
What are the key properties of 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 349.34 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 2525031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).