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

C13H20N2OS — CID 2872481

IUPAC2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCN(CC)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C13H20N2OS/c1-5-15(6-2)12-14-9-7-13(3,4)8-10(16)11(9)17-12/h5-8H2,1-4H3
InChIKeyHDIOLERXQHVQQR-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.14
Rot. Bonds3

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

2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 2872481) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID2872481
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCN(CC)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C13H20N2OS/c1-5-15(6-2)12-14-9-7-13(3,4)8-10(16)11(9)17-12/h5-8H2,1-4H3
InChIKeyHDIOLERXQHVQQR-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 622262
2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one
CID 587874
2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
CID 616821
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-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 741973
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclohexane]-7-one
CID 11998445
rac-2-morpholino-5-propyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998447
rac-5-methyl-2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998448
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclopentane]-7-one
CID 16081736
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)cyclopropanecarboxamide
CID 3152380

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 2872481) is 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CCN(CC)c1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is HDIOLERXQHVQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-5-15(6-2)12-14-9-7-13(3,4)8-10(16)11(9)17-12/h5-8H2,1-4H3.
What are the key properties of 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 252.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 2872481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).