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

C12H18N2OS — CID 64976404

IUPAC2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC(C)CN(C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C12H18N2OS/c1-8(2)7-14(3)12-13-11-9(15)5-4-6-10(11)16-12/h8H,4-7H2,1-3H3
InChIKeyNYMFMIPITBOJOE-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.75
Rot. Bonds3

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

2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976404) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976404
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC(C)CN(C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C12H18N2OS/c1-8(2)7-14(3)12-13-11-9(15)5-4-6-10(11)16-12/h8H,4-7H2,1-3H3
InChIKeyNYMFMIPITBOJOE-UHFFFAOYSA-N
XLogP2.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976302
2-[2,2-dimethylpropyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976905
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976338
2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976281
2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976881
2-[(3-bromophenyl)methyl-methylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976274
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-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977396
2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976272
2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62752331
2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975721

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976404) is 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CC(C)CN(C)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is NYMFMIPITBOJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)7-14(3)12-13-11-9(15)5-4-6-10(11)16-12/h8H,4-7H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 238.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).