3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one

C14H10N2O2S — CID 154050171

IUPAC3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESNC=Cc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C14H10N2O2S/c15-6-5-13-16-11(8-19-13)10-7-9-3-1-2-4-12(9)18-14(10)17/h1-8H,15H2
InChIKeyCOMBAJYGGUELNW-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.85
Rot. Bonds2

About 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one

3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 154050171) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID154050171
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESNC=Cc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C14H10N2O2S/c15-6-5-13-16-11(8-19-13)10-7-9-3-1-2-4-12(9)18-14(10)17/h1-8H,15H2
InChIKeyCOMBAJYGGUELNW-UHFFFAOYSA-N
XLogP2.85
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
3-[2-(6-bromo-2-iminochromen-3-yl)-1,3-thiazol-4-yl]chromen-2-one
CID 3535291
6-bromo-3-[2-(2-iminochromen-3-yl)-1,3-thiazol-4-yl]chromen-2-one
CID 4694725
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 2833713
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 886838
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
4-hydroxy-3-[(E)-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]iminomethyl]chromen-2-one
CID 135472690
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide
CID 87727212
3-[2-(2-benzhydrylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 4006186

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one (CID 154050171) is 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one is NC=Cc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is COMBAJYGGUELNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-6-5-13-16-11(8-19-13)10-7-9-3-1-2-4-12(9)18-14(10)17/h1-8H,15H2.
What are the key properties of 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one?
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 154050171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).