5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole

C16H22N2OS — CID 164752058

IUPAC5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole
SMILESCC(C)OC1C[C@@H](c2ccc3scnc3c2)NC[C@@H]1C
InChIInChI=1S/C16H22N2OS/c1-10(2)19-15-7-13(17-8-11(15)3)12-4-5-16-14(6-12)18-9-20-16/h4-6,9-11,13,15,17H,7-8H2,1-3H3/t11-,13-,15?/m0/s1
InChIKeyZFBJPOQUNUUPFM-HEIKZBPMSA-N
MW290.43 g/mol
LogP3.76
Rot. Bonds3

About 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole

5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole (PubChem CID 164752058) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole
PubChem CID164752058
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole
SMILESCC(C)OC1C[C@@H](c2ccc3scnc3c2)NC[C@@H]1C
InChIInChI=1S/C16H22N2OS/c1-10(2)19-15-7-13(17-8-11(15)3)12-4-5-16-14(6-12)18-9-20-16/h4-6,9-11,13,15,17H,7-8H2,1-3H3/t11-,13-,15?/m0/s1
InChIKeyZFBJPOQUNUUPFM-HEIKZBPMSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole (CID 164752058) is 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole is CC(C)OC1C[C@@H](c2ccc3scnc3c2)NC[C@@H]1C.
What is the InChIKey of 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole?
The InChIKey is ZFBJPOQUNUUPFM-HEIKZBPMSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(2)19-15-7-13(17-8-11(15)3)12-4-5-16-14(6-12)18-9-20-16/h4-6,9-11,13,15,17H,7-8H2,1-3H3/t11-,13-,15?/m0/s1.
What are the key properties of 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole?
5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole has a molecular weight of 290.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 164752058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).