2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C13H20N2OS — CID 115346933

IUPAC2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCN(C)CCc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C13H20N2OS/c1-13(2)7-9-12(10(16)8-13)17-11(14-9)5-6-15(3)4/h5-8H2,1-4H3
InChIKeyHKPWZZCGUKUAIV-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.40
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 115346933) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID115346933
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCN(C)CCc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C13H20N2OS/c1-13(2)7-9-12(10(16)8-13)17-11(14-9)5-6-15(3)4/h5-8H2,1-4H3
InChIKeyHKPWZZCGUKUAIV-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 115346933) is 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CN(C)CCc1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is HKPWZZCGUKUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2)7-9-12(10(16)8-13)17-11(14-9)5-6-15(3)4/h5-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 252.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 115346933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).