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

C12H19N3S — CID 115042270

IUPAC2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
SMILESc1sc(CC2CNC2)nc1C1CCCNC1
InChIInChI=1S/C12H19N3S/c1-2-10(7-13-3-1)11-8-16-12(15-11)4-9-5-14-6-9/h8-10,13-14H,1-7H2
InChIKeyKVEJNMXKSAOUMW-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.37
Rot. Bonds3

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

2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole (PubChem CID 115042270) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
PubChem CID115042270
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
SMILESc1sc(CC2CNC2)nc1C1CCCNC1
InChIInChI=1S/C12H19N3S/c1-2-10(7-13-3-1)11-8-16-12(15-11)4-9-5-14-6-9/h8-10,13-14H,1-7H2
InChIKeyKVEJNMXKSAOUMW-UHFFFAOYSA-N
XLogP1.37
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
CID 105448612
2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
CID 96839534

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole (CID 115042270) is 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole is c1sc(CC2CNC2)nc1C1CCCNC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole?
The InChIKey is KVEJNMXKSAOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-10(7-13-3-1)11-8-16-12(15-11)4-9-5-14-6-9/h8-10,13-14H,1-7H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole?
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 115042270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).