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

C11H12N2OS2 — CID 65274596

IUPAC4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCCCc1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C11H12N2OS2/c1-2-3-10-12-11(16-13-10)15-9-6-4-8(14)5-7-9/h4-7,14H,2-3H2,1H3
InChIKeyJKHPDEYAEIRRFU-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.35
Rot. Bonds4

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

4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65274596) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65274596
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCCCc1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C11H12N2OS2/c1-2-3-10-12-11(16-13-10)15-9-6-4-8(14)5-7-9/h4-7,14H,2-3H2,1H3
InChIKeyJKHPDEYAEIRRFU-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,2,4-thiadiazol-5-yl]methylsulfanyl]phenol
CID 163481121
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
CID 107305654
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
CID 113944080
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
CID 113944081
4-[[6-chloro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-2H-pyridin-3-yl]sulfanyl]phenol
CID 141200840
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65273091
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65273092
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274598
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274599
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274654
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274655
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274656

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65274596) is 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is CCCc1nsc(Sc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is JKHPDEYAEIRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-2-3-10-12-11(16-13-10)15-9-6-4-8(14)5-7-9/h4-7,14H,2-3H2,1H3.
What are the key properties of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol has a molecular weight of 252.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65274596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).