1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C15H23N3OS — CID 96576935

IUPAC1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CC(N3CCCC[C@@H]3C)C2)cs1
InChIInChI=1S/C15H23N3OS/c1-11-5-3-4-6-18(11)14-8-17(9-14)15(19)7-13-10-20-12(2)16-13/h10-11,14H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBFGUDAWUPNEYOP-NSHDSACASA-N
MW293.44 g/mol
LogP2.08
Rot. Bonds3

About 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 96576935) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID96576935
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CC(N3CCCC[C@@H]3C)C2)cs1
InChIInChI=1S/C15H23N3OS/c1-11-5-3-4-6-18(11)14-8-17(9-14)15(19)7-13-10-20-12(2)16-13/h10-11,14H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBFGUDAWUPNEYOP-NSHDSACASA-N
XLogP2.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 96576935) is 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CC(N3CCCC[C@@H]3C)C2)cs1.
What is the InChIKey of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is BFGUDAWUPNEYOP-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-5-3-4-6-18(11)14-8-17(9-14)15(19)7-13-10-20-12(2)16-13/h10-11,14H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 293.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 96576935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).