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

C11H10N2OS2 — CID 65274655

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESOc1ccccc1Sc1nc(C2CC2)ns1
InChIInChI=1S/C11H10N2OS2/c14-8-3-1-2-4-9(8)15-11-12-10(13-16-11)7-5-6-7/h1-4,7,14H,5-6H2
InChIKeyQSMCVAJPHLUBES-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.27
Rot. Bonds3

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65274655) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65274655
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESOc1ccccc1Sc1nc(C2CC2)ns1
InChIInChI=1S/C11H10N2OS2/c14-8-3-1-2-4-9(8)15-11-12-10(13-16-11)7-5-6-7/h1-4,7,14H,5-6H2
InChIKeyQSMCVAJPHLUBES-UHFFFAOYSA-N
XLogP3.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65274655) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is Oc1ccccc1Sc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is QSMCVAJPHLUBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c14-8-3-1-2-4-9(8)15-11-12-10(13-16-11)7-5-6-7/h1-4,7,14H,5-6H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol has a molecular weight of 250.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65274655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).