1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C9H10F3NOS3 — CID 106782835

IUPAC1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1CSCCS1
InChIInChI=1S/C9H10F3NOS3/c10-9(11,12)8-13-3-5(17-8)7(14)6-4-15-1-2-16-6/h3,6-7,14H,1-2,4H2
InChIKeyVEYZXKIELQNWOG-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.04
Rot. Bonds2

About 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782835) has the molecular formula C9H10F3NOS3 and a molecular weight of 301.38 g/mol. Its IUPAC name is 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782835
Molecular FormulaC9H10F3NOS3
Molecular Weight301.38 g/mol
Exact Mass300.99
IUPAC Name1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1CSCCS1
InChIInChI=1S/C9H10F3NOS3/c10-9(11,12)8-13-3-5(17-8)7(14)6-4-15-1-2-16-6/h3,6-7,14H,1-2,4H2
InChIKeyVEYZXKIELQNWOG-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782835) is 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)C1CSCCS1.
What is the InChIKey of 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VEYZXKIELQNWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS3/c10-9(11,12)8-13-3-5(17-8)7(14)6-4-15-1-2-16-6/h3,6-7,14H,1-2,4H2.
What are the key properties of 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 301.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).