[4-(2-methylphenyl)thiadiazol-5-yl]methanol

C10H10N2OS — CID 165486981

IUPAC[4-(2-methylphenyl)thiadiazol-5-yl]methanol
SMILESCc1ccccc1-c1nnsc1CO
InChIInChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)10-9(6-13)14-12-11-10/h2-5,13H,6H2,1H3
InChIKeyHAFVYQJOQBEPMM-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.01
Rot. Bonds2

About [4-(2-methylphenyl)thiadiazol-5-yl]methanol

[4-(2-methylphenyl)thiadiazol-5-yl]methanol (PubChem CID 165486981) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is [4-(2-methylphenyl)thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylphenyl)thiadiazol-5-yl]methanol
PubChem CID165486981
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name[4-(2-methylphenyl)thiadiazol-5-yl]methanol
SMILESCc1ccccc1-c1nnsc1CO
InChIInChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)10-9(6-13)14-12-11-10/h2-5,13H,6H2,1H3
InChIKeyHAFVYQJOQBEPMM-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)thiadiazol-5-yl]methanol?
The IUPAC name of [4-(2-methylphenyl)thiadiazol-5-yl]methanol (CID 165486981) is [4-(2-methylphenyl)thiadiazol-5-yl]methanol.
What is the SMILES notation for [4-(2-methylphenyl)thiadiazol-5-yl]methanol?
The canonical SMILES for [4-(2-methylphenyl)thiadiazol-5-yl]methanol is Cc1ccccc1-c1nnsc1CO.
What is the InChIKey of [4-(2-methylphenyl)thiadiazol-5-yl]methanol?
The InChIKey is HAFVYQJOQBEPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)10-9(6-13)14-12-11-10/h2-5,13H,6H2,1H3.
What are the key properties of [4-(2-methylphenyl)thiadiazol-5-yl]methanol?
[4-(2-methylphenyl)thiadiazol-5-yl]methanol has a molecular weight of 206.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)thiadiazol-5-yl]methanol is sourced from PubChem (CID 165486981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).