4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one

C12H9N3O2S — CID 123402672

IUPAC4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one
SMILESNNc1c(-c2nccs2)c(=O)oc2ccccc12
InChIInChI=1S/C12H9N3O2S/c13-15-10-7-3-1-2-4-8(7)17-12(16)9(10)11-14-5-6-18-11/h1-6,15H,13H2
InChIKeyMWPVOMQAYSQFCN-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.20
Rot. Bonds2

About 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one

4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one (PubChem CID 123402672) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one
PubChem CID123402672
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one
SMILESNNc1c(-c2nccs2)c(=O)oc2ccccc12
InChIInChI=1S/C12H9N3O2S/c13-15-10-7-3-1-2-4-8(7)17-12(16)9(10)11-14-5-6-18-11/h1-6,15H,13H2
InChIKeyMWPVOMQAYSQFCN-UHFFFAOYSA-N
XLogP2.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one (CID 123402672) is 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one is NNc1c(-c2nccs2)c(=O)oc2ccccc12.
What is the InChIKey of 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is MWPVOMQAYSQFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c13-15-10-7-3-1-2-4-8(7)17-12(16)9(10)11-14-5-6-18-11/h1-6,15H,13H2.
What are the key properties of 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one?
4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 259.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-(1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 123402672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).