(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol

C11H11ClN2OS2 — CID 95647156

IUPAC(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESCc1nnc(SC[C@@H](O)c2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-4-2-3-5-9(8)12/h2-5,10,15H,6H2,1H3/t10-/m1/s1
InChIKeyYNCYAVKPOFXZRG-SNVBAGLBSA-N
MW286.81 g/mol
LogP3.33
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol

(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (PubChem CID 95647156) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
PubChem CID95647156
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESCc1nnc(SC[C@@H](O)c2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-4-2-3-5-9(8)12/h2-5,10,15H,6H2,1H3/t10-/m1/s1
InChIKeyYNCYAVKPOFXZRG-SNVBAGLBSA-N
XLogP3.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647161
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
CID 60670961
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
1-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64647920
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 71904870
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
1-(2-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 112839907
1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
CID 110897656
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (CID 95647156) is (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is Cc1nnc(SC[C@@H](O)c2ccccc2Cl)s1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The InChIKey is YNCYAVKPOFXZRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-4-2-3-5-9(8)12/h2-5,10,15H,6H2,1H3/t10-/m1/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol has a molecular weight of 286.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 95647156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).