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

C11H17N3S — CID 115034159

IUPAC2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
SMILESc1sc(CC2CNC2)nc1C1CCNC1
InChIInChI=1S/C11H17N3S/c1-2-12-6-9(1)10-7-15-11(14-10)3-8-4-13-5-8/h7-9,12-13H,1-6H2
InChIKeyOGDQXBCIAHMDRO-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.98
Rot. Bonds3

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

2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 115034159) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
PubChem CID115034159
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
SMILESc1sc(CC2CNC2)nc1C1CCNC1
InChIInChI=1S/C11H17N3S/c1-2-12-6-9(1)10-7-15-11(14-10)3-8-4-13-5-8/h7-9,12-13H,1-6H2
InChIKeyOGDQXBCIAHMDRO-UHFFFAOYSA-N
XLogP0.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
CID 105448612
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115042271

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole (CID 115034159) is 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole is c1sc(CC2CNC2)nc1C1CCNC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is OGDQXBCIAHMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-12-6-9(1)10-7-15-11(14-10)3-8-4-13-5-8/h7-9,12-13H,1-6H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole?
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 223.34 g/mol, XLogP of 0.98, 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-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 115034159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).