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

C14H24N2O2S — CID 81068223

IUPAC2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCOCCN(C)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C14H24N2O2S/c1-5-18-7-6-16(4)13-15-10-8-14(2,3)9-11(17)12(10)19-13/h11,17H,5-9H2,1-4H3
InChIKeyRBWSWSWXBHWNIQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.62
Rot. Bonds5

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

2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 81068223) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID81068223
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCOCCN(C)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C14H24N2O2S/c1-5-18-7-6-16(4)13-15-10-8-14(2,3)9-11(17)12(10)19-13/h11,17H,5-9H2,1-4H3
InChIKeyRBWSWSWXBHWNIQ-UHFFFAOYSA-N
XLogP2.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754872
5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 55112319
2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753693
5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754539
5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752486
2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 116728221
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
5,5-dimethyl-2-pyrimidin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63987935
2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65132754
2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750828
2-N-ethyl-2-N-(2-methoxyethyl)-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752906

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 81068223) is 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CCOCCN(C)c1nc2c(s1)C(O)CC(C)(C)C2.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is RBWSWSWXBHWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-18-7-6-16(4)13-15-10-8-14(2,3)9-11(17)12(10)19-13/h11,17H,5-9H2,1-4H3.
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 284.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 81068223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).