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

C12H19N3S — CID 115042271

IUPAC2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1sc(CC2CNC2)nc1C1CCNC1
InChIInChI=1S/C12H19N3S/c1-8-12(10-2-3-13-7-10)15-11(16-8)4-9-5-14-6-9/h9-10,13-14H,2-7H2,1H3
InChIKeyVUGVDTRMSKVUPW-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.29
Rot. Bonds3

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

2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 115042271) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
PubChem CID115042271
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1sc(CC2CNC2)nc1C1CCNC1
InChIInChI=1S/C12H19N3S/c1-8-12(10-2-3-13-7-10)15-11(16-8)4-9-5-14-6-9/h9-10,13-14H,2-7H2,1H3
InChIKeyVUGVDTRMSKVUPW-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 105482444
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 116829024
2-(azetidin-3-yl)-4-cyclopropyl-5-methyl-1,3-thiazole
CID 105448610
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole (CID 115042271) is 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole is Cc1sc(CC2CNC2)nc1C1CCNC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is VUGVDTRMSKVUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-12(10-2-3-13-7-10)15-11(16-8)4-9-5-14-6-9/h9-10,13-14H,2-7H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole?
2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.29, 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)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 115042271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).