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

C10H16N2OS — CID 112714002

IUPAC6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one
SMILESCNC1CC(C)(C)Cc2sc(=O)[nH]c21
InChIInChI=1S/C10H16N2OS/c1-10(2)4-6(11-3)8-7(5-10)14-9(13)12-8/h6,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyRCNFMOBHTGUBCH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.67
Rot. Bonds1

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

6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one (PubChem CID 112714002) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one
PubChem CID112714002
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one
SMILESCNC1CC(C)(C)Cc2sc(=O)[nH]c21
InChIInChI=1S/C10H16N2OS/c1-10(2)4-6(11-3)8-7(5-10)14-9(13)12-8/h6,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyRCNFMOBHTGUBCH-UHFFFAOYSA-N
XLogP1.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one?
The IUPAC name of 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one (CID 112714002) is 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one.
What is the SMILES notation for 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one?
The canonical SMILES for 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one is CNC1CC(C)(C)Cc2sc(=O)[nH]c21.
What is the InChIKey of 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one?
The InChIKey is RCNFMOBHTGUBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2)4-6(11-3)8-7(5-10)14-9(13)12-8/h6,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one?
6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-(methylamino)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one is sourced from PubChem (CID 112714002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).