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

C11H18N2OS — CID 62754872

IUPAC2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN(C)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C11H18N2OS/c1-11(2)5-7-9(8(14)6-11)15-10(12-7)13(3)4/h8,14H,5-6H2,1-4H3
InChIKeyFKFTZOWLFLRLNA-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.21
Rot. Bonds1

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

2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62754872) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62754872
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN(C)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C11H18N2OS/c1-11(2)5-7-9(8(14)6-11)15-10(12-7)13(3)4/h8,14H,5-6H2,1-4H3
InChIKeyFKFTZOWLFLRLNA-UHFFFAOYSA-N
XLogP2.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754539
2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753693
2-[butan-2-yl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753160
2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 81068223
2-[cyclopropylmethyl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63940672
5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 55112319
5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752486
2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754525
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
2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752444
5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65197775

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62754872) is 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CN(C)c1nc2c(s1)C(O)CC(C)(C)C2.
What is the InChIKey of 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is FKFTZOWLFLRLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2)5-7-9(8(14)6-11)15-10(12-7)13(3)4/h8,14H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 226.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62754872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).