2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide

C24H14N2O3S — CID 40885933

IUPAC2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2c3ccccc3ccc21
InChIInChI=1S/C24H14N2O3S/c1-2-13-26-19-12-11-15-7-3-5-9-17(15)21(19)30-24(26)25-22(27)18-14-16-8-4-6-10-20(16)29-23(18)28/h1,3-12,14H,13H2/b25-24-
InChIKeyJRQVYXUIIPHOQK-IZHYLOQSSA-N
MW410.45 g/mol
LogP4.34
Rot. Bonds2

About 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide

2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide (PubChem CID 40885933) has the molecular formula C24H14N2O3S and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide
PubChem CID40885933
Molecular FormulaC24H14N2O3S
Molecular Weight410.45 g/mol
Exact Mass410.07
IUPAC Name2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2c3ccccc3ccc21
InChIInChI=1S/C24H14N2O3S/c1-2-13-26-19-12-11-15-7-3-5-9-17(15)21(19)30-24(26)25-22(27)18-14-16-8-4-6-10-20(16)29-23(18)28/h1,3-12,14H,13H2/b25-24-
InChIKeyJRQVYXUIIPHOQK-IZHYLOQSSA-N
XLogP4.34
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-2-carboxamide
CID 40885929
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-oxobenzo[f]chromene-2-carboxamide
CID 3582438
N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 43946229
3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 2151306
2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 43946435
3-pentoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43946306
(E)-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 40885938
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 43984891
methyl 2-(1-benzofuran-2-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate
CID 40700215
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 43984493
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-oxochromene-3-carboxamide
CID 7154044
2-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943639

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide (CID 40885933) is 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide is C#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2c3ccccc3ccc21.
What is the InChIKey of 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide?
The InChIKey is JRQVYXUIIPHOQK-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H14N2O3S/c1-2-13-26-19-12-11-15-7-3-5-9-17(15)21(19)30-24(26)25-22(27)18-14-16-8-4-6-10-20(16)29-23(18)28/h1,3-12,14H,13H2/b25-24-.
What are the key properties of 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide?
2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-3-carboxamide is sourced from PubChem (CID 40885933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).