5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one

C15H24N2OS — CID 62755996

IUPAC5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCC(CC)N(C)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C15H24N2OS/c1-6-10(7-2)17(5)14-16-11-8-15(3,4)9-12(18)13(11)19-14/h10H,6-9H2,1-5H3
InChIKeyDWXFKZOSYIRKPW-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.92
Rot. Bonds4

About 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one

5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62755996) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62755996
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCC(CC)N(C)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C15H24N2OS/c1-6-10(7-2)17(5)14-16-11-8-15(3,4)9-12(18)13(11)19-14/h10H,6-9H2,1-5H3
InChIKeyDWXFKZOSYIRKPW-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one (CID 62755996) is 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one is CCC(CC)N(C)c1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is DWXFKZOSYIRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-6-10(7-2)17(5)14-16-11-8-15(3,4)9-12(18)13(11)19-14/h10H,6-9H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one?
5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 280.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62755996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).