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

C12H18N2O2S — CID 64976281

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCOCC(C)N(C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C12H18N2O2S/c1-8(7-16-3)14(2)12-13-11-9(15)5-4-6-10(11)17-12/h8H,4-7H2,1-3H3
InChIKeyDCENSWKJZIZVQN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds4

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

2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976281) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976281
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCOCC(C)N(C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C12H18N2O2S/c1-8(7-16-3)14(2)12-13-11-9(15)5-4-6-10(11)17-12/h8H,4-7H2,1-3H3
InChIKeyDCENSWKJZIZVQN-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976302
2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976272
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-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976249
2-[methyl(oxan-4-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976343
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976338
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
7-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753047
2-N-methyl-2-N-pentan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977284
2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116727535

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976281) is 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is COCC(C)N(C)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is DCENSWKJZIZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(7-16-3)14(2)12-13-11-9(15)5-4-6-10(11)17-12/h8H,4-7H2,1-3H3.
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 254.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).