phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

C12H10N4OS — CID 55143116

IUPACphenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNC(c1ccccc1)c1nnc(-c2cscn2)o1
InChIInChI=1S/C12H10N4OS/c13-10(8-4-2-1-3-5-8)12-16-15-11(17-12)9-6-18-7-14-9/h1-7,10H,13H2
InChIKeyZYUWDINSGGOKGC-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.24
Rot. Bonds3

About phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 55143116) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Namephenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID55143116
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Namephenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNC(c1ccccc1)c1nnc(-c2cscn2)o1
InChIInChI=1S/C12H10N4OS/c13-10(8-4-2-1-3-5-8)12-16-15-11(17-12)9-6-18-7-14-9/h1-7,10H,13H2
InChIKeyZYUWDINSGGOKGC-UHFFFAOYSA-N
XLogP2.24
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine 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 phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 55143116) is phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is NC(c1ccccc1)c1nnc(-c2cscn2)o1.
What is the InChIKey of phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ZYUWDINSGGOKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-10(8-4-2-1-3-5-8)12-16-15-11(17-12)9-6-18-7-14-9/h1-7,10H,13H2.
What are the key properties of phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 258.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 55143116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).