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

C15H16N2OS — CID 64976338

IUPAC2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCN(Cc1ccccc1)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C15H16N2OS/c1-17(10-11-6-3-2-4-7-11)15-16-14-12(18)8-5-9-13(14)19-15/h2-4,6-7H,5,8-10H2,1H3
InChIKeyKBGXWHNNPYQMCA-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.30
Rot. Bonds3

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

2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976338) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976338
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCN(Cc1ccccc1)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C15H16N2OS/c1-17(10-11-6-3-2-4-7-11)15-16-14-12(18)8-5-9-13(14)19-15/h2-4,6-7H,5,8-10H2,1H3
InChIKeyKBGXWHNNPYQMCA-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976338) is 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CN(Cc1ccccc1)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is KBGXWHNNPYQMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(10-11-6-3-2-4-7-11)15-16-14-12(18)8-5-9-13(14)19-15/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 272.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).