(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol

C11H10F2N2OS2 — CID 95647161

IUPAC(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESCc1nnc(SC[C@H](O)c2c(F)cccc2F)s1
InChIInChI=1S/C11H10F2N2OS2/c1-6-14-15-11(18-6)17-5-9(16)10-7(12)3-2-4-8(10)13/h2-4,9,16H,5H2,1H3/t9-/m0/s1
InChIKeyMRXFGYNTQRZDET-VIFPVBQESA-N
MW288.34 g/mol
LogP2.95
Rot. Bonds4

About (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol

(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (PubChem CID 95647161) has the molecular formula C11H10F2N2OS2 and a molecular weight of 288.34 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
PubChem CID95647161
Molecular FormulaC11H10F2N2OS2
Molecular Weight288.34 g/mol
Exact Mass288.02
IUPAC Name(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESCc1nnc(SC[C@H](O)c2c(F)cccc2F)s1
InChIInChI=1S/C11H10F2N2OS2/c1-6-14-15-11(18-6)17-5-9(16)10-7(12)3-2-4-8(10)13/h2-4,9,16H,5H2,1H3/t9-/m0/s1
InChIKeyMRXFGYNTQRZDET-VIFPVBQESA-N
XLogP2.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (CID 95647161) is (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is Cc1nnc(SC[C@H](O)c2c(F)cccc2F)s1.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The InChIKey is MRXFGYNTQRZDET-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F2N2OS2/c1-6-14-15-11(18-6)17-5-9(16)10-7(12)3-2-4-8(10)13/h2-4,9,16H,5H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol has a molecular weight of 288.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 95647161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).