2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol

C11H12N2OS2 — CID 65274599

IUPAC2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCC(C)c1nsc(Sc2ccccc2O)n1
InChIInChI=1S/C11H12N2OS2/c1-7(2)10-12-11(16-13-10)15-9-6-4-3-5-8(9)14/h3-7,14H,1-2H3
InChIKeyKDDWFAFGERXETN-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.52
Rot. Bonds3

About 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol

2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65274599) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65274599
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCC(C)c1nsc(Sc2ccccc2O)n1
InChIInChI=1S/C11H12N2OS2/c1-7(2)10-12-11(16-13-10)15-9-6-4-3-5-8(9)14/h3-7,14H,1-2H3
InChIKeyKDDWFAFGERXETN-UHFFFAOYSA-N
XLogP3.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65274599) is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is CC(C)c1nsc(Sc2ccccc2O)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is KDDWFAFGERXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7(2)10-12-11(16-13-10)15-9-6-4-3-5-8(9)14/h3-7,14H,1-2H3.
What are the key properties of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol has a molecular weight of 252.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65274599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).