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

C13H20N2OS — CID 116965399

IUPAC4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1C1CCOCC1
InChIInChI=1S/C13H20N2OS/c1-5-14-6-2-11(1)13-15-12(9-17-13)10-3-7-16-8-4-10/h9-11,14H,1-8H2
InChIKeyXSYRGQKUANUPNW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.50
Rot. Bonds2

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

4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 116965399) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID116965399
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1C1CCOCC1
InChIInChI=1S/C13H20N2OS/c1-5-14-6-2-11(1)13-15-12(9-17-13)10-3-7-16-8-4-10/h9-11,14H,1-8H2
InChIKeyXSYRGQKUANUPNW-UHFFFAOYSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(oxan-4-yl)-2-piperidin-4-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

Related Compounds

4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888938
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 174655952
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole (CID 116965399) is 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole is c1sc(C2CCNCC2)nc1C1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is XSYRGQKUANUPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-5-14-6-2-11(1)13-15-12(9-17-13)10-3-7-16-8-4-10/h9-11,14H,1-8H2.
What are the key properties of 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 252.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 116965399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).