4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole

C15H20N2S — CID 84638390

IUPAC4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
SMILESCc1ccc(C)c2sc(CC3CCCNC3)nc12
InChIInChI=1S/C15H20N2S/c1-10-5-6-11(2)15-14(10)17-13(18-15)8-12-4-3-7-16-9-12/h5-6,12,16H,3-4,7-9H2,1-2H3
InChIKeyCVOLSJDMZGDRFN-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.46
Rot. Bonds2

About 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole

4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole (PubChem CID 84638390) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
PubChem CID84638390
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
SMILESCc1ccc(C)c2sc(CC3CCCNC3)nc12
InChIInChI=1S/C15H20N2S/c1-10-5-6-11(2)15-14(10)17-13(18-15)8-12-4-3-7-16-9-12/h5-6,12,16H,3-4,7-9H2,1-2H3
InChIKeyCVOLSJDMZGDRFN-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
6-bromo-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 79533850
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 116829024
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
CID 63241058
4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 84638955

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole (CID 84638390) is 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole is Cc1ccc(C)c2sc(CC3CCCNC3)nc12.
What is the InChIKey of 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole?
The InChIKey is CVOLSJDMZGDRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-6-11(2)15-14(10)17-13(18-15)8-12-4-3-7-16-9-12/h5-6,12,16H,3-4,7-9H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole?
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole has a molecular weight of 260.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 84638390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).