5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C16H27N3OS — CID 62752486

IUPAC5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN1CCCC(N(C)c2nc3c(s2)C(O)CC(C)(C)C3)C1
InChIInChI=1S/C16H27N3OS/c1-16(2)8-12-14(13(20)9-16)21-15(17-12)19(4)11-6-5-7-18(3)10-11/h11,13,20H,5-10H2,1-4H3
InChIKeyJWDOIQSKFLQLOM-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.68
Rot. Bonds2

About 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol

5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62752486) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62752486
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN1CCCC(N(C)c2nc3c(s2)C(O)CC(C)(C)C3)C1
InChIInChI=1S/C16H27N3OS/c1-16(2)8-12-14(13(20)9-16)21-15(17-12)19(4)11-6-5-7-18(3)10-11/h11,13,20H,5-10H2,1-4H3
InChIKeyJWDOIQSKFLQLOM-UHFFFAOYSA-N
XLogP2.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62752486) is 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CN1CCCC(N(C)c2nc3c(s2)C(O)CC(C)(C)C3)C1.
What is the InChIKey of 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is JWDOIQSKFLQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2)8-12-14(13(20)9-16)21-15(17-12)19(4)11-6-5-7-18(3)10-11/h11,13,20H,5-10H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 309.48 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62752486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).