N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide

C19H14N2O4S — CID 46562426

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccc3ccc(=O)oc3c2)sc2ccccc21
InChIInChI=1S/C19H14N2O4S/c1-21-14-4-2-3-5-16(14)26-19(21)20-17(22)11-24-13-8-6-12-7-9-18(23)25-15(12)10-13/h2-10H,11H2,1H3/b20-19-
InChIKeyMTLDAYASKZXTAY-VXPUYCOJSA-N
MW366.40 g/mol
LogP2.85
Rot. Bonds3

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 46562426) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID46562426
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccc3ccc(=O)oc3c2)sc2ccccc21
InChIInChI=1S/C19H14N2O4S/c1-21-14-4-2-3-5-16(14)26-19(21)20-17(22)11-24-13-8-6-12-7-9-18(23)25-15(12)10-13/h2-10H,11H2,1H3/b20-19-
InChIKeyMTLDAYASKZXTAY-VXPUYCOJSA-N
XLogP2.85
TPSA73.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide (CID 46562426) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide is Cn1/c(=N/C(=O)COc2ccc3ccc(=O)oc3c2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is MTLDAYASKZXTAY-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-21-14-4-2-3-5-16(14)26-19(21)20-17(22)11-24-13-8-6-12-7-9-18(23)25-15(12)10-13/h2-10H,11H2,1H3/b20-19-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 366.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 46562426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).