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

C15H26N2OS — CID 55112319

IUPAC5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCCN(c1nc2c(s1)C(O)CC(C)(C)C2)C(C)C
InChIInChI=1S/C15H26N2OS/c1-6-7-17(10(2)3)14-16-11-8-15(4,5)9-12(18)13(11)19-14/h10,12,18H,6-9H2,1-5H3
InChIKeyZRIMUZOHOPOXDT-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.77
Rot. Bonds4

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

5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 55112319) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID55112319
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCCN(c1nc2c(s1)C(O)CC(C)(C)C2)C(C)C
InChIInChI=1S/C15H26N2OS/c1-6-7-17(10(2)3)14-16-11-8-15(4,5)9-12(18)13(11)19-14/h10,12,18H,6-9H2,1-5H3
InChIKeyZRIMUZOHOPOXDT-UHFFFAOYSA-N
XLogP3.77
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butan-2-yl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753160
2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754872
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
2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 116728221
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-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 103191884
5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752486
5,5-dimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65334457
2-N-[2-(dimethylamino)ethyl]-5,5-dimethyl-2-N-propyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752227
2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754525

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 55112319) is 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CCCN(c1nc2c(s1)C(O)CC(C)(C)C2)C(C)C.
What is the InChIKey of 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is ZRIMUZOHOPOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-7-17(10(2)3)14-16-11-8-15(4,5)9-12(18)13(11)19-14/h10,12,18H,6-9H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 282.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[propan-2-yl(propyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 55112319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).