4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole

C12H18N2S — CID 105479874

IUPAC4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
SMILESc1sc(C2CCCC2)nc1CC1CNC1
InChIInChI=1S/C12H18N2S/c1-2-4-10(3-1)12-14-11(8-15-12)5-9-6-13-7-9/h8-10,13H,1-7H2
InChIKeyXOBXSLUFHQVARW-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.56
Rot. Bonds3

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

4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole (PubChem CID 105479874) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
PubChem CID105479874
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
SMILESc1sc(C2CCCC2)nc1CC1CNC1
InChIInChI=1S/C12H18N2S/c1-2-4-10(3-1)12-14-11(8-15-12)5-9-6-13-7-9/h8-10,13H,1-7H2
InChIKeyXOBXSLUFHQVARW-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
4-[6-(azepan-3-yl)hexoxymethyl]-2-cyclohexyl-1,3-thiazole
CID 178064263
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole?
The IUPAC name of 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole (CID 105479874) is 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole is c1sc(C2CCCC2)nc1CC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole?
The InChIKey is XOBXSLUFHQVARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-10(3-1)12-14-11(8-15-12)5-9-6-13-7-9/h8-10,13H,1-7H2.
What are the key properties of 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole?
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole has a molecular weight of 222.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole is sourced from PubChem (CID 105479874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).