2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C16H26N2OS — CID 62752444

IUPAC2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1CC(C)CN(c2nc3c(s2)C(O)CC(C)(C)C3)C1
InChIInChI=1S/C16H26N2OS/c1-10-5-11(2)9-18(8-10)15-17-12-6-16(3,4)7-13(19)14(12)20-15/h10-11,13,19H,5-9H2,1-4H3
InChIKeyVGCWYFQAPJKIQG-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.63
Rot. Bonds1

About 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62752444) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62752444
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1CC(C)CN(c2nc3c(s2)C(O)CC(C)(C)C3)C1
InChIInChI=1S/C16H26N2OS/c1-10-5-11(2)9-18(8-10)15-17-12-6-16(3,4)7-13(19)14(12)20-15/h10-11,13,19H,5-9H2,1-4H3
InChIKeyVGCWYFQAPJKIQG-UHFFFAOYSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754525
2-(2-ethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753327
2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754872
4-(7-hydroxy-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)-3,3-dimethylpiperazin-2-one
CID 63608245
5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65197775
2-(azepan-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62751071
5,5-dimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65334457
2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65132754
5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754539
2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 116728221
2-[butan-2-yl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753160
5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752486

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62752444) is 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1CC(C)CN(c2nc3c(s2)C(O)CC(C)(C)C3)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is VGCWYFQAPJKIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10-5-11(2)9-18(8-10)15-17-12-6-16(3,4)7-13(19)14(12)20-15/h10-11,13,19H,5-9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 294.46 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62752444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).