4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole

C14H18N2OS — CID 84638955

IUPAC4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(C3CCCNC3)nc12
InChIInChI=1S/C14H18N2OS/c1-9-5-6-11(17-2)12-13(9)18-14(16-12)10-4-3-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyLNSDHDFNYATSDA-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.08
Rot. Bonds2

About 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole

4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole (PubChem CID 84638955) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
PubChem CID84638955
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(C3CCCNC3)nc12
InChIInChI=1S/C14H18N2OS/c1-9-5-6-11(17-2)12-13(9)18-14(16-12)10-4-3-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyLNSDHDFNYATSDA-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
4-methyl-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 79146802
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390
3-(4-methoxyphenyl)piperidine
CID 12937920
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole?
The IUPAC name of 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole (CID 84638955) is 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole is COc1ccc(C)c2sc(C3CCCNC3)nc12.
What is the InChIKey of 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole?
The InChIKey is LNSDHDFNYATSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-6-11(17-2)12-13(9)18-14(16-12)10-4-3-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole?
4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole has a molecular weight of 262.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 84638955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).