2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole

C12H19N3S — CID 115042260

IUPAC2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
SMILESCc1sc(C2CNC2)nc1C1CCCCN1
InChIInChI=1S/C12H19N3S/c1-8-11(10-4-2-3-5-14-10)15-12(16-8)9-6-13-7-9/h9-10,13-14H,2-7H2,1H3
InChIKeyBSRYVYQBZUCFAS-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.95
Rot. Bonds2

About 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole

2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole (PubChem CID 115042260) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
PubChem CID115042260
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
SMILESCc1sc(C2CNC2)nc1C1CCCCN1
InChIInChI=1S/C12H19N3S/c1-8-11(10-4-2-3-5-14-10)15-12(16-8)9-6-13-7-9/h9-10,13-14H,2-7H2,1H3
InChIKeyBSRYVYQBZUCFAS-UHFFFAOYSA-N
XLogP1.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
2-(azetidin-3-yl)-4-cyclopropyl-5-methyl-1,3-thiazole
CID 105448610
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
2-ethyl-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115027143
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
CID 115020841
2-cyclopentyl-4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 116885109
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
2-(2-ethyl-5-methyl-1H-imidazol-4-yl)piperidine
CID 173025527
5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115040989
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole (CID 115042260) is 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole is Cc1sc(C2CNC2)nc1C1CCCCN1.
What is the InChIKey of 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole?
The InChIKey is BSRYVYQBZUCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-11(10-4-2-3-5-14-10)15-12(16-8)9-6-13-7-9/h9-10,13-14H,2-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole?
2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 115042260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).