7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one

C21H24N2O2S — CID 163232820

IUPAC7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2c(C(C)C)c(/C=C/c3nccs3)c(=O)oc2c1
InChIInChI=1S/C21H24N2O2S/c1-5-23(6-2)15-7-8-16-18(13-15)25-21(24)17(20(16)14(3)4)9-10-19-22-11-12-26-19/h7-14H,5-6H2,1-4H3/b10-9+
InChIKeyGCTAWBWJRYBITH-MDZDMXLPSA-N
MW368.50 g/mol
LogP5.39
Rot. Bonds6

About 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one

7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one (PubChem CID 163232820) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one
PubChem CID163232820
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2c(C(C)C)c(/C=C/c3nccs3)c(=O)oc2c1
InChIInChI=1S/C21H24N2O2S/c1-5-23(6-2)15-7-8-16-18(13-15)25-21(24)17(20(16)14(3)4)9-10-19-22-11-12-26-19/h7-14H,5-6H2,1-4H3/b10-9+
InChIKeyGCTAWBWJRYBITH-MDZDMXLPSA-N
XLogP5.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-4-propan-2-ylchromen-2-one
CID 163232830
7-(diethylamino)-4-methyl-3-[3-(methylamino)but-1-enyl]chromen-2-one
CID 123988591
6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
3-(diethylamino)benzo[c][1]benzoxepine-6,11-dione
CID 10085865
7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one
CID 89333106
3-[[(E)-3-[7-(diethylamino)-4-(2-methylpropyl)-2-oxochromen-3-yl]prop-2-enoyl]amino]butanoic acid
CID 162436670
3-bromo-4-chloro-7-(diethylamino)chromen-2-one
CID 648878
4-butyl-7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
CID 139179786
3-[(E)-2-(7-chloro-2-oxochromen-4-yl)ethenyl]-7-(diethylamino)chromen-2-one
CID 102456950
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-(diethylamino)-4-ethylchromene-2-thione
CID 162436645
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one (CID 163232820) is 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one is CCN(CC)c1ccc2c(C(C)C)c(/C=C/c3nccs3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one?
The InChIKey is GCTAWBWJRYBITH-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-5-23(6-2)15-7-8-16-18(13-15)25-21(24)17(20(16)14(3)4)9-10-19-22-11-12-26-19/h7-14H,5-6H2,1-4H3/b10-9+.
What are the key properties of 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one?
7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one has a molecular weight of 368.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-propan-2-yl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]chromen-2-one is sourced from PubChem (CID 163232820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).