[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol

C15H19N3O2S — CID 122560367

IUPAC[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2nnc(-c3ccccc3)s2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-11-15(6-8-20-9-7-15)10-16-14-18-17-13(21-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,16,18)
InChIKeyUNCYTPFNHJBSCF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds5

About [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol

[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 122560367) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID122560367
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2nnc(-c3ccccc3)s2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-11-15(6-8-20-9-7-15)10-16-14-18-17-13(21-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,16,18)
InChIKeyUNCYTPFNHJBSCF-UHFFFAOYSA-N
XLogP2.41
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol (CID 122560367) is [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol is OCC1(CNc2nnc(-c3ccccc3)s2)CCOCC1.
What is the InChIKey of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is UNCYTPFNHJBSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-11-15(6-8-20-9-7-15)10-16-14-18-17-13(21-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,16,18).
What are the key properties of [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 305.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 122560367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).