2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol

C11H12N2OS — CID 105077364

IUPAC2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2csnn2)cc1
InChIInChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)6-11(14)10-7-15-13-12-10/h2-5,7,11,14H,6H2,1H3
InChIKeySPUKBQBBAVFLSM-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol

2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol (PubChem CID 105077364) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol
PubChem CID105077364
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2csnn2)cc1
InChIInChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)6-11(14)10-7-15-13-12-10/h2-5,7,11,14H,6H2,1H3
InChIKeySPUKBQBBAVFLSM-UHFFFAOYSA-N
XLogP2.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol?
The IUPAC name of 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol (CID 105077364) is 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol is Cc1ccc(CC(O)c2csnn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol?
The InChIKey is SPUKBQBBAVFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)6-11(14)10-7-15-13-12-10/h2-5,7,11,14H,6H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol?
2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol has a molecular weight of 220.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 105077364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).