(4-phenylthiadiazol-5-yl)methanol

C9H8N2OS — CID 2776524

IUPAC(4-phenylthiadiazol-5-yl)methanol
SMILESOCc1snnc1-c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-6-8-9(10-11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyCCCGCSZUTJHLFD-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.70
Rot. Bonds2

About (4-phenylthiadiazol-5-yl)methanol

(4-phenylthiadiazol-5-yl)methanol (PubChem CID 2776524) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (4-phenylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-phenylthiadiazol-5-yl)methanol
PubChem CID2776524
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name(4-phenylthiadiazol-5-yl)methanol
SMILESOCc1snnc1-c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-6-8-9(10-11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyCCCGCSZUTJHLFD-UHFFFAOYSA-N
XLogP1.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylthiadiazol-5-yl)methanol?
The IUPAC name of (4-phenylthiadiazol-5-yl)methanol (CID 2776524) is (4-phenylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-phenylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-phenylthiadiazol-5-yl)methanol is OCc1snnc1-c1ccccc1.
What is the InChIKey of (4-phenylthiadiazol-5-yl)methanol?
The InChIKey is CCCGCSZUTJHLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-6-8-9(10-11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of (4-phenylthiadiazol-5-yl)methanol?
(4-phenylthiadiazol-5-yl)methanol has a molecular weight of 192.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylthiadiazol-5-yl)methanol is sourced from PubChem (CID 2776524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).