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

C13H17N3OS — CID 65197775

IUPAC5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCn1cc(-c2nc3c(s2)C(O)CC(C)(C)C3)cn1
InChIInChI=1S/C13H17N3OS/c1-13(2)4-9-11(10(17)5-13)18-12(15-9)8-6-14-16(3)7-8/h6-7,10,17H,4-5H2,1-3H3
InChIKeyUFPPWROEBCFHPV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.55
Rot. Bonds1

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

5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 65197775) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID65197775
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCn1cc(-c2nc3c(s2)C(O)CC(C)(C)C3)cn1
InChIInChI=1S/C13H17N3OS/c1-13(2)4-9-11(10(17)5-13)18-12(15-9)8-6-14-16(3)7-8/h6-7,10,17H,4-5H2,1-3H3
InChIKeyUFPPWROEBCFHPV-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 65197775) is 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol is Cn1cc(-c2nc3c(s2)C(O)CC(C)(C)C3)cn1.
What is the InChIKey of 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is UFPPWROEBCFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2)4-9-11(10(17)5-13)18-12(15-9)8-6-14-16(3)7-8/h6-7,10,17H,4-5H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 263.37 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 65197775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).