(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol

C11H12N2OS2 — CID 103960736

IUPAC(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Sc1nncs1
InChIInChI=1S/C11H12N2OS2/c1-2-9(14)8-5-3-4-6-10(8)16-11-13-12-7-15-11/h3-7,9,14H,2H2,1H3/t9-/m1/s1
InChIKeyZOSZZFHZLWOAKV-SECBINFHSA-N
MW252.36 g/mol
LogP3.13
Rot. Bonds4

About (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol

(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol (PubChem CID 103960736) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol
PubChem CID103960736
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Sc1nncs1
InChIInChI=1S/C11H12N2OS2/c1-2-9(14)8-5-3-4-6-10(8)16-11-13-12-7-15-11/h3-7,9,14H,2H2,1H3/t9-/m1/s1
InChIKeyZOSZZFHZLWOAKV-SECBINFHSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814151
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol
CID 112680054
[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
CID 43528963
2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 22915547
2-[2-[(1S)-1-hydroxypropyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 103960747
2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 63802023
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
CID 103960748
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688
(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
CID 103960852

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol (CID 103960736) is (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Sc1nncs1.
What is the InChIKey of (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol?
The InChIKey is ZOSZZFHZLWOAKV-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-2-9(14)8-5-3-4-6-10(8)16-11-13-12-7-15-11/h3-7,9,14H,2H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol?
(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol is sourced from PubChem (CID 103960736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).