(3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone

C12H17N3OS — CID 67512848

IUPAC(3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1(C2CCNCC2)CNC1
InChIInChI=1S/C12H17N3OS/c16-11(10-5-17-8-15-10)12(6-14-7-12)9-1-3-13-4-2-9/h5,8-9,13-14H,1-4,6-7H2
InChIKeyBBXYEKCEKMWLQJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.92
Rot. Bonds3

About (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone

(3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 67512848) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID67512848
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1(C2CCNCC2)CNC1
InChIInChI=1S/C12H17N3OS/c16-11(10-5-17-8-15-10)12(6-14-7-12)9-1-3-13-4-2-9/h5,8-9,13-14H,1-4,6-7H2
InChIKeyBBXYEKCEKMWLQJ-UHFFFAOYSA-N
XLogP0.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone (CID 67512848) is (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)C1(C2CCNCC2)CNC1.
What is the InChIKey of (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is BBXYEKCEKMWLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-11(10-5-17-8-15-10)12(6-14-7-12)9-1-3-13-4-2-9/h5,8-9,13-14H,1-4,6-7H2.
What are the key properties of (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone?
(3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 251.35 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 (3-piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67512848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).