2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H18N2OS — CID 62753871

IUPAC2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCc1ccc(N(C)c2nc3c(s2)C(O)CCC3)cc1
InChIInChI=1S/C15H18N2OS/c1-10-6-8-11(9-7-10)17(2)15-16-12-4-3-5-13(18)14(12)19-15/h6-9,13,18H,3-5H2,1-2H3
InChIKeyCEWXRYYLUSFFRC-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.59
Rot. Bonds2

About 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753871) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753871
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCc1ccc(N(C)c2nc3c(s2)C(O)CCC3)cc1
InChIInChI=1S/C15H18N2OS/c1-10-6-8-11(9-7-10)17(2)15-16-12-4-3-5-13(18)14(12)19-15/h6-9,13,18H,3-5H2,1-2H3
InChIKeyCEWXRYYLUSFFRC-UHFFFAOYSA-N
XLogP3.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753871) is 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is Cc1ccc(N(C)c2nc3c(s2)C(O)CCC3)cc1.
What is the InChIKey of 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is CEWXRYYLUSFFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-6-8-11(9-7-10)17(2)15-16-12-4-3-5-13(18)14(12)19-15/h6-9,13,18H,3-5H2,1-2H3.
What are the key properties of 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 274.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).