methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate

C14H16N2O4S — CID 22577323

IUPACmethyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C14H16N2O4S/c1-16-10-7-6-9(8-11(10)21-14(16)19)15-12(17)4-3-5-13(18)20-2/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyOPELSUFZPRODGJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.88
Rot. Bonds5

About methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate

methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate (PubChem CID 22577323) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
PubChem CID22577323
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C14H16N2O4S/c1-16-10-7-6-9(8-11(10)21-14(16)19)15-12(17)4-3-5-13(18)20-2/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyOPELSUFZPRODGJ-UHFFFAOYSA-N
XLogP1.88
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 162648499
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100531465
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100535827
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 162656365
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 100535339
2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 22577330
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100525689
2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560197
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531271

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate (CID 22577323) is methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate is COC(=O)CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate?
The InChIKey is OPELSUFZPRODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16-10-7-6-9(8-11(10)21-14(16)19)15-12(17)4-3-5-13(18)20-2/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate?
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate has a molecular weight of 308.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 22577323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).