3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one

C16H17N3O2S — CID 13126342

IUPAC3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3csc(N)n3)c(=O)oc2c1
InChIInChI=1S/C16H17N3O2S/c1-3-19(4-2)11-6-5-10-7-12(13-9-22-16(17)18-13)15(20)21-14(10)8-11/h5-9H,3-4H2,1-2H3,(H2,17,18)
InChIKeyXYMISFWIUUPXII-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.34
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one

3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one (PubChem CID 13126342) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
PubChem CID13126342
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3csc(N)n3)c(=O)oc2c1
InChIInChI=1S/C16H17N3O2S/c1-3-19(4-2)11-6-5-10-7-12(13-9-22-16(17)18-13)15(20)21-14(10)8-11/h5-9H,3-4H2,1-2H3,(H2,17,18)
InChIKeyXYMISFWIUUPXII-UHFFFAOYSA-N
XLogP3.34
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-3-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 136748921
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CID 10519425
7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
CID 10708251
7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
CID 71659817
7-(diethylamino)-3-pyridin-1-ium-4-ylchromen-2-one;ethane
CID 142382157
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
7-(diethylamino)-3-(3-methylphenyl)chromen-2-one
CID 87585315
4-[7-(diethylamino)-2-oxochromen-3-yl]benzonitrile
CID 19090609
7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 142841478
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
3-(3-chlorophenyl)-7-(diethylamino)chromen-2-one
CID 3518661
7-(diethylamino)-3-(7-methylbenzo[e][1,3]benzothiazol-2-yl)chromen-2-one
CID 58927036

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one (CID 13126342) is 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one is CCN(CC)c1ccc2cc(-c3csc(N)n3)c(=O)oc2c1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one?
The InChIKey is XYMISFWIUUPXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-19(4-2)11-6-5-10-7-12(13-9-22-16(17)18-13)15(20)21-14(10)8-11/h5-9H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one?
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one has a molecular weight of 315.40 g/mol, XLogP of 3.34, 4 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)-7-(diethylamino)chromen-2-one is sourced from PubChem (CID 13126342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).