3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one

C14H12N2O3S — CID 5207452

IUPAC3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(-c3csc(N)n3)c(=O)oc12
InChIInChI=1S/C14H12N2O3S/c1-2-18-11-5-3-4-8-6-9(13(17)19-12(8)11)10-7-20-14(15)16-10/h3-7H,2H2,1H3,(H2,15,16)
InChIKeyTYVCMCDWOXCOEJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.90
Rot. Bonds3

About 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one

3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one (PubChem CID 5207452) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
PubChem CID5207452
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(-c3csc(N)n3)c(=O)oc12
InChIInChI=1S/C14H12N2O3S/c1-2-18-11-5-3-4-8-6-9(13(17)19-12(8)11)10-7-20-14(15)16-10/h3-7H,2H2,1H3,(H2,15,16)
InChIKeyTYVCMCDWOXCOEJ-UHFFFAOYSA-N
XLogP2.90
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
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 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one (CID 5207452) is 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one is CCOc1cccc2cc(-c3csc(N)n3)c(=O)oc12.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one?
The InChIKey is TYVCMCDWOXCOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-2-18-11-5-3-4-8-6-9(13(17)19-12(8)11)10-7-20-14(15)16-10/h3-7H,2H2,1H3,(H2,15,16).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one?
3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one has a molecular weight of 288.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one is sourced from PubChem (CID 5207452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).