2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C15H20N4OS — CID 592567

IUPAC2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCc1cc(C)n(CNc2nc3c(s2)C(=O)CC(C)(C)C3)n1
InChIInChI=1S/C15H20N4OS/c1-9-5-10(2)19(18-9)8-16-14-17-11-6-15(3,4)7-12(20)13(11)21-14/h5H,6-8H2,1-4H3,(H,16,17)
InChIKeyVZOGFJVWFJJPLA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.18
Rot. Bonds3

About 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 592567) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID592567
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCc1cc(C)n(CNc2nc3c(s2)C(=O)CC(C)(C)C3)n1
InChIInChI=1S/C15H20N4OS/c1-9-5-10(2)19(18-9)8-16-14-17-11-6-15(3,4)7-12(20)13(11)21-14/h5H,6-8H2,1-4H3,(H,16,17)
InChIKeyVZOGFJVWFJJPLA-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 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-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 592567) is 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is Cc1cc(C)n(CNc2nc3c(s2)C(=O)CC(C)(C)C3)n1.
What is the InChIKey of 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is VZOGFJVWFJJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-5-10(2)19(18-9)8-16-14-17-11-6-15(3,4)7-12(20)13(11)21-14/h5H,6-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 304.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpyrazol-1-yl)methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 592567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).