[2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol

C11H11ClN2OS2 — CID 114065037

IUPAC[2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol
SMILESCCc1nsc(Sc2ccc(CO)c(Cl)c2)n1
InChIInChI=1S/C11H11ClN2OS2/c1-2-10-13-11(17-14-10)16-8-4-3-7(6-15)9(12)5-8/h3-5,15H,2,6H2,1H3
InChIKeyBJXWUDCDVMMRPK-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.40
Rot. Bonds4

About [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol

[2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol (PubChem CID 114065037) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol
PubChem CID114065037
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name[2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol
SMILESCCc1nsc(Sc2ccc(CO)c(Cl)c2)n1
InChIInChI=1S/C11H11ClN2OS2/c1-2-10-13-11(17-14-10)16-8-4-3-7(6-15)9(12)5-8/h3-5,15H,2,6H2,1H3
InChIKeyBJXWUDCDVMMRPK-UHFFFAOYSA-N
XLogP3.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol (CID 114065037) is [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol is CCc1nsc(Sc2ccc(CO)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol?
The InChIKey is BJXWUDCDVMMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-2-10-13-11(17-14-10)16-8-4-3-7(6-15)9(12)5-8/h3-5,15H,2,6H2,1H3.
What are the key properties of [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol?
[2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol has a molecular weight of 286.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 114065037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).