[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol

C15H10F3NOS — CID 57432006

IUPAC[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol
SMILESOCc1cccc2sc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)11-6-4-9(5-7-11)14-19-13-10(8-20)2-1-3-12(13)21-14/h1-7,20H,8H2
InChIKeyWMBVDPBMNWCQOW-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.47
Rot. Bonds2

About [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol

[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol (PubChem CID 57432006) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol
PubChem CID57432006
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol
SMILESOCc1cccc2sc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)11-6-4-9(5-7-11)14-19-13-10(8-20)2-1-3-12(13)21-14/h1-7,20H,8H2
InChIKeyWMBVDPBMNWCQOW-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol (CID 57432006) is [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol is OCc1cccc2sc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol?
The InChIKey is WMBVDPBMNWCQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)11-6-4-9(5-7-11)14-19-13-10(8-20)2-1-3-12(13)21-14/h1-7,20H,8H2.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol?
[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol has a molecular weight of 309.31 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-4-yl]methanol is sourced from PubChem (CID 57432006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).