4-(oxan-2-yl)-1,3-thiazole

C8H11NOS — CID 91346575

IUPAC4-(oxan-2-yl)-1,3-thiazole
SMILESc1nc(C2CCCCO2)cs1
InChIInChI=1S/C8H11NOS/c1-2-4-10-8(3-1)7-5-11-6-9-7/h5-6,8H,1-4H2
InChIKeyMLZUPEIYBGVGBM-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.38
Rot. Bonds1

About 4-(oxan-2-yl)-1,3-thiazole

4-(oxan-2-yl)-1,3-thiazole (PubChem CID 91346575) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-(oxan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(oxan-2-yl)-1,3-thiazole
PubChem CID91346575
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-(oxan-2-yl)-1,3-thiazole
SMILESc1nc(C2CCCCO2)cs1
InChIInChI=1S/C8H11NOS/c1-2-4-10-8(3-1)7-5-11-6-9-7/h5-6,8H,1-4H2
InChIKeyMLZUPEIYBGVGBM-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(oxan-2-yl)-1,3-thiazole 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-(oxan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(oxan-2-yl)-1,3-thiazole (CID 91346575) is 4-(oxan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(oxan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(oxan-2-yl)-1,3-thiazole is c1nc(C2CCCCO2)cs1.
What is the InChIKey of 4-(oxan-2-yl)-1,3-thiazole?
The InChIKey is MLZUPEIYBGVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-4-10-8(3-1)7-5-11-6-9-7/h5-6,8H,1-4H2.
What are the key properties of 4-(oxan-2-yl)-1,3-thiazole?
4-(oxan-2-yl)-1,3-thiazole has a molecular weight of 169.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-1,3-thiazole is sourced from PubChem (CID 91346575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).