(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

C17H28N4S — CID 124506271

IUPAC(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCc1cn2c(CNC[C@H](C)CN3CCCCC3)c(C)nc2s1
InChIInChI=1S/C17H28N4S/c1-13(11-20-7-5-4-6-8-20)9-18-10-16-15(3)19-17-21(16)12-14(2)22-17/h12-13,18H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyJKYARBKEWLMCDF-ZDUSSCGKSA-N
MW320.51 g/mol
LogP3.22
Rot. Bonds6

About (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 124506271) has the molecular formula C17H28N4S and a molecular weight of 320.51 g/mol. Its IUPAC name is (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID124506271
Molecular FormulaC17H28N4S
Molecular Weight320.51 g/mol
Exact Mass320.20
IUPAC Name(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCc1cn2c(CNC[C@H](C)CN3CCCCC3)c(C)nc2s1
InChIInChI=1S/C17H28N4S/c1-13(11-20-7-5-4-6-8-20)9-18-10-16-15(3)19-17-21(16)12-14(2)22-17/h12-13,18H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyJKYARBKEWLMCDF-ZDUSSCGKSA-N
XLogP3.22
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (CID 124506271) is (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is Cc1cn2c(CNC[C@H](C)CN3CCCCC3)c(C)nc2s1.
What is the InChIKey of (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is JKYARBKEWLMCDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4S/c1-13(11-20-7-5-4-6-8-20)9-18-10-16-15(3)19-17-21(16)12-14(2)22-17/h12-13,18H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 320.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 124506271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).