2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole

C12H19N3S — CID 115042295

IUPAC2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2csc(C3CNC3)n2)CC1
InChIInChI=1S/C12H19N3S/c1-15-4-2-9(3-5-15)11-8-16-12(14-11)10-6-13-7-10/h8-10,13H,2-7H2,1H3
InChIKeyVCMDQYPXAABQBE-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.64
Rot. Bonds2

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

2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 115042295) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID115042295
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2csc(C3CNC3)n2)CC1
InChIInChI=1S/C12H19N3S/c1-15-4-2-9(3-5-15)11-8-16-12(14-11)10-6-13-7-10/h8-10,13H,2-7H2,1H3
InChIKeyVCMDQYPXAABQBE-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
CID 115043922
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
CID 116966279
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116889343
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine
CID 116966504

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 115042295) is 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole is CN1CCC(c2csc(C3CNC3)n2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is VCMDQYPXAABQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15-4-2-9(3-5-15)11-8-16-12(14-11)10-6-13-7-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole?
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 115042295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).