4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol

C12H19N3OS — CID 100628500

IUPAC4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol
SMILESOC1(c2cnc(CN3CCC3)s2)CCNCC1
InChIInChI=1S/C12H19N3OS/c16-12(2-4-13-5-3-12)10-8-14-11(17-10)9-15-6-1-7-15/h8,13,16H,1-7,9H2
InChIKeyQKRKXNZVMRLLJW-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.92
Rot. Bonds3

About 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol

4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol (PubChem CID 100628500) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol
PubChem CID100628500
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol
SMILESOC1(c2cnc(CN3CCC3)s2)CCNCC1
InChIInChI=1S/C12H19N3OS/c16-12(2-4-13-5-3-12)10-8-14-11(17-10)9-15-6-1-7-15/h8,13,16H,1-7,9H2
InChIKeyQKRKXNZVMRLLJW-UHFFFAOYSA-N
XLogP0.92
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol (CID 100628500) is 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol is OC1(c2cnc(CN3CCC3)s2)CCNCC1.
What is the InChIKey of 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
The InChIKey is QKRKXNZVMRLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-12(2-4-13-5-3-12)10-8-14-11(17-10)9-15-6-1-7-15/h8,13,16H,1-7,9H2.
What are the key properties of 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol has a molecular weight of 253.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 100628500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).