2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

C15H24N2OS — CID 62752331

IUPAC2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC(C)CN(CC(C)C)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C15H24N2OS/c1-10(2)8-17(9-11(3)4)15-16-12-6-5-7-13(18)14(12)19-15/h10-11H,5-9H2,1-4H3
InChIKeyJKYZNSGLUSOURJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.78
Rot. Bonds5

About 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 62752331) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID62752331
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC(C)CN(CC(C)C)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C15H24N2OS/c1-10(2)8-17(9-11(3)4)15-16-12-6-5-7-13(18)14(12)19-15/h10-11H,5-9H2,1-4H3
InChIKeyJKYZNSGLUSOURJ-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 62752331) is 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CC(C)CN(CC(C)C)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is JKYZNSGLUSOURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)8-17(9-11(3)4)15-16-12-6-5-7-13(18)14(12)19-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 280.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 62752331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).