1-(4-methylthiadiazol-5-yl)-2-phenylethanol

C11H12N2OS — CID 105076487

IUPAC1-(4-methylthiadiazol-5-yl)-2-phenylethanol
SMILESCc1nnsc1C(O)Cc1ccccc1
InChIInChI=1S/C11H12N2OS/c1-8-11(15-13-12-8)10(14)7-9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3
InChIKeyIWNDNWRNUDFSBN-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.12
Rot. Bonds3

About 1-(4-methylthiadiazol-5-yl)-2-phenylethanol

1-(4-methylthiadiazol-5-yl)-2-phenylethanol (PubChem CID 105076487) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-2-phenylethanol
PubChem CID105076487
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(4-methylthiadiazol-5-yl)-2-phenylethanol
SMILESCc1nnsc1C(O)Cc1ccccc1
InChIInChI=1S/C11H12N2OS/c1-8-11(15-13-12-8)10(14)7-9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3
InChIKeyIWNDNWRNUDFSBN-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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Related Compounds

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
(4-Phenyl-1,2,3-Thiadiazol-5-Yl)Methanol
CID 2776524
2-(5-Phenylthiadiazol-4-yl)propan-2-ol
CID 13494833
1-(5-Phenylthiadiazol-4-yl)cyclohexan-1-ol
CID 13494835
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(2-Chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 102623087
2-(2-Chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 102623131
1-(4-Tert-butylthiadiazol-5-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102623155
2-(2-Chloro-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 102623197
(4-Ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759066

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-phenylethanol?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-phenylethanol (CID 105076487) is 1-(4-methylthiadiazol-5-yl)-2-phenylethanol.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-2-phenylethanol?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-2-phenylethanol is Cc1nnsc1C(O)Cc1ccccc1.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-2-phenylethanol?
The InChIKey is IWNDNWRNUDFSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-11(15-13-12-8)10(14)7-9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-2-phenylethanol?
1-(4-methylthiadiazol-5-yl)-2-phenylethanol 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 1-(4-methylthiadiazol-5-yl)-2-phenylethanol is sourced from PubChem (CID 105076487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).