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

C10H14N2OS — CID 3123575

IUPAC5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCNc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C10H14N2OS/c1-10(2)4-6-8(7(13)5-10)14-9(11-3)12-6/h4-5H2,1-3H3,(H,11,12)
InChIKeyQOYIARSUHINXSM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.34
Rot. Bonds1

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

5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 3123575) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID3123575
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCNc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C10H14N2OS/c1-10(2)4-6-8(7(13)5-10)14-9(11-3)12-6/h4-5H2,1-3H3,(H,11,12)
InChIKeyQOYIARSUHINXSM-UHFFFAOYSA-N
XLogP2.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-(methylamino)-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

Related Compounds

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 622262
2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
CID 587850
2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one
CID 587874
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 741972
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CID 2939591
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide
CID 3155103
N-(7-Oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 597793
2-(diethylamino)-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 2872481
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)cyclopropanecarboxamide
CID 3152380
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3152645
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 5169988

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one (CID 3123575) is 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one is CNc1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is QOYIARSUHINXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(2)4-6-8(7(13)5-10)14-9(11-3)12-6/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one?
5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 210.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 3123575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).