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

C11H12N2OS2 — CID 65275440

IUPAC4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCC(C)c1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C11H12N2OS2/c1-7(2)10-12-11(16-13-10)15-9-5-3-8(14)4-6-9/h3-7,14H,1-2H3
InChIKeySLARMRWWLKVBOM-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.52
Rot. Bonds3

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

4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65275440) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65275440
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCC(C)c1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C11H12N2OS2/c1-7(2)10-12-11(16-13-10)15-9-5-3-8(14)4-6-9/h3-7,14H,1-2H3
InChIKeySLARMRWWLKVBOM-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 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65275440) is 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is CC(C)c1nsc(Sc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is SLARMRWWLKVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7(2)10-12-11(16-13-10)15-9-5-3-8(14)4-6-9/h3-7,14H,1-2H3.
What are the key properties of 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
4-[(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 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65275440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).