2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one

C19H10ClN3O2S — CID 75366118

IUPAC2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one
SMILESNc1nc2oc3ccc(Cl)cc3c(=O)c2cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H10ClN3O2S/c20-9-5-6-14-10(7-9)16(24)11-8-12(17(21)23-18(11)25-14)19-22-13-3-1-2-4-15(13)26-19/h1-8H,(H2,21,23)
InChIKeyABACYUQEIINTSA-UHFFFAOYSA-N
MW379.83 g/mol
LogP4.85
Rot. Bonds1

About 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one

2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one (PubChem CID 75366118) has the molecular formula C19H10ClN3O2S and a molecular weight of 379.83 g/mol. Its IUPAC name is 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one
PubChem CID75366118
Molecular FormulaC19H10ClN3O2S
Molecular Weight379.83 g/mol
Exact Mass379.02
IUPAC Name2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one
SMILESNc1nc2oc3ccc(Cl)cc3c(=O)c2cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H10ClN3O2S/c20-9-5-6-14-10(7-9)16(24)11-8-12(17(21)23-18(11)25-14)19-22-13-3-1-2-4-15(13)26-19/h1-8H,(H2,21,23)
InChIKeyABACYUQEIINTSA-UHFFFAOYSA-N
XLogP4.85
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one (CID 75366118) is 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one is Nc1nc2oc3ccc(Cl)cc3c(=O)c2cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one?
The InChIKey is ABACYUQEIINTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN3O2S/c20-9-5-6-14-10(7-9)16(24)11-8-12(17(21)23-18(11)25-14)19-22-13-3-1-2-4-15(13)26-19/h1-8H,(H2,21,23).
What are the key properties of 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one?
2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one has a molecular weight of 379.83 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 75366118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).