(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol

C11H7ClF3NOS2 — CID 142615531

IUPAC(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1cccc(SC(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H7ClF3NOS2/c12-10-16-5-8(18-10)9(17)6-2-1-3-7(4-6)19-11(13,14)15/h1-5,9,17H
InChIKeyQWSVMRONVPFFDA-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.49
Rot. Bonds3

About (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol

(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 142615531) has the molecular formula C11H7ClF3NOS2 and a molecular weight of 325.76 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID142615531
Molecular FormulaC11H7ClF3NOS2
Molecular Weight325.76 g/mol
Exact Mass324.96
IUPAC Name(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1cccc(SC(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H7ClF3NOS2/c12-10-16-5-8(18-10)9(17)6-2-1-3-7(4-6)19-11(13,14)15/h1-5,9,17H
InChIKeyQWSVMRONVPFFDA-UHFFFAOYSA-N
XLogP4.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol (CID 142615531) is (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol is OC(c1cccc(SC(F)(F)F)c1)c1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is QWSVMRONVPFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NOS2/c12-10-16-5-8(18-10)9(17)6-2-1-3-7(4-6)19-11(13,14)15/h1-5,9,17H.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol?
(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 325.76 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 142615531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).