(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C11H14F3NOS3 — CID 106782918

IUPAC(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1SCC(C(O)c2cnc(C(F)(F)F)s2)SC1C
InChIInChI=1S/C11H14F3NOS3/c1-5-6(2)18-8(4-17-5)9(16)7-3-15-10(19-7)11(12,13)14/h3,5-6,8-9,16H,4H2,1-2H3
InChIKeyLOVMBWBKTWOTLH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.82
Rot. Bonds2

About (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782918) has the molecular formula C11H14F3NOS3 and a molecular weight of 329.43 g/mol. Its IUPAC name is (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782918
Molecular FormulaC11H14F3NOS3
Molecular Weight329.43 g/mol
Exact Mass329.02
IUPAC Name(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1SCC(C(O)c2cnc(C(F)(F)F)s2)SC1C
InChIInChI=1S/C11H14F3NOS3/c1-5-6(2)18-8(4-17-5)9(16)7-3-15-10(19-7)11(12,13)14/h3,5-6,8-9,16H,4H2,1-2H3
InChIKeyLOVMBWBKTWOTLH-UHFFFAOYSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782835
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106786585
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786619
2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786521
(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 103345172
piperidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782199
1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786554
N-[thiolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783552
[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786987
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783553

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782918) is (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC1SCC(C(O)c2cnc(C(F)(F)F)s2)SC1C.
What is the InChIKey of (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is LOVMBWBKTWOTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS3/c1-5-6(2)18-8(4-17-5)9(16)7-3-15-10(19-7)11(12,13)14/h3,5-6,8-9,16H,4H2,1-2H3.
What are the key properties of (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 329.43 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).