5-(5-methylpiperidin-2-yl)-1,3-benzothiazole

C13H16N2S — CID 164750446

IUPAC5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
SMILESCC1CCC(c2ccc3scnc3c2)NC1
InChIInChI=1S/C13H16N2S/c1-9-2-4-11(14-7-9)10-3-5-13-12(6-10)15-8-16-13/h3,5-6,8-9,11,14H,2,4,7H2,1H3
InChIKeyUPSVNOIRQLCAMG-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.36
Rot. Bonds1

About 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole

5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (PubChem CID 164750446) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
PubChem CID164750446
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
SMILESCC1CCC(c2ccc3scnc3c2)NC1
InChIInChI=1S/C13H16N2S/c1-9-2-4-11(14-7-9)10-3-5-13-12(6-10)15-8-16-13/h3,5-6,8-9,11,14H,2,4,7H2,1H3
InChIKeyUPSVNOIRQLCAMG-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
CID 164750164
5-[(2S,5S)-5-methyl-4-propan-2-yloxypiperidin-2-yl]-1,3-benzothiazole
CID 164752058
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
1-[(2S,5R)-5-(1,3-benzothiazol-5-yl)-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 177260836
N,N-dimethyl-2-[5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-yl]ethanamine
CID 164751318
2-(2-methoxyethyl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753062
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164970750
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
CID 175627696
(2R)-N,N-dimethyl-1-[5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-yl]propan-2-amine
CID 164752974
2-(4-fluoro-1-methylpiperidin-4-yl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753774
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?
The IUPAC name of 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (CID 164750446) is 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is CC1CCC(c2ccc3scnc3c2)NC1.
What is the InChIKey of 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?
The InChIKey is UPSVNOIRQLCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-2-4-11(14-7-9)10-3-5-13-12(6-10)15-8-16-13/h3,5-6,8-9,11,14H,2,4,7H2,1H3.
What are the key properties of 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole has a molecular weight of 232.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 164750446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).