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

C11H16N2OS — CID 64976302

IUPAC2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC(C)N(C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C11H16N2OS/c1-7(2)13(3)11-12-10-8(14)5-4-6-9(10)15-11/h7H,4-6H2,1-3H3
InChIKeyIMTUYNYPGRWXQZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.51
Rot. Bonds2

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

2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976302) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976302
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC(C)N(C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C11H16N2OS/c1-7(2)13(3)11-12-10-8(14)5-4-6-9(10)15-11/h7H,4-6H2,1-3H3
InChIKeyIMTUYNYPGRWXQZ-UHFFFAOYSA-N
XLogP2.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976281
2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976404
2-[2,2-dimethylpropyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976905
2-[methyl(oxan-4-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976343
2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976249
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976338
2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976272
2-[(3-bromophenyl)methyl-methylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976274
2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976881
2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975721
2-(3-methyl-1,4-dithian-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 115388319
N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide
CID 129283083

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976302) is 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CC(C)N(C)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is IMTUYNYPGRWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(2)13(3)11-12-10-8(14)5-4-6-9(10)15-11/h7H,4-6H2,1-3H3.
What are the key properties of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 224.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).