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

C14H20N2O2S — CID 55114086

IUPAC2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCN(CC1CCCCO1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C14H20N2O2S/c1-16(9-10-5-2-3-8-18-10)14-15-11-6-4-7-12(17)13(11)19-14/h10H,2-9H2,1H3
InChIKeyMMILZDYVRZTDFH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds3

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

2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 55114086) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID55114086
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCN(CC1CCCCO1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C14H20N2O2S/c1-16(9-10-5-2-3-8-18-10)14-15-11-6-4-7-12(17)13(11)19-14/h10H,2-9H2,1H3
InChIKeyMMILZDYVRZTDFH-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752046
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63941076
4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765122
[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753863
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62751493
1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753865
N-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392795
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078762
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 55114086) is 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CN(CC1CCCCO1)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is MMILZDYVRZTDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(9-10-5-2-3-8-18-10)14-15-11-6-4-7-12(17)13(11)19-14/h10H,2-9H2,1H3.
What are the key properties of 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 280.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 55114086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).