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

C20H16N2O3S — CID 15263193

IUPAC3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCCOc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1
InChIInChI=1S/C20H16N2O3S/c1-2-24-15-9-7-14(8-10-15)21-20-22-17(12-26-20)16-11-13-5-3-4-6-18(13)25-19(16)23/h3-12H,2H2,1H3,(H,21,22)
InChIKeyRWMMNUSUZBOPLZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.06
Rot. Bonds5

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

3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 15263193) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID15263193
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCCOc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1
InChIInChI=1S/C20H16N2O3S/c1-2-24-15-9-7-14(8-10-15)21-20-22-17(12-26-20)16-11-13-5-3-4-6-18(13)25-19(16)23/h3-12H,2H2,1H3,(H,21,22)
InChIKeyRWMMNUSUZBOPLZ-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.06
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

6-chloro-3-[2-(4-propoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 2911881
7-ethoxy-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]chromen-2-one
CID 1119426
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 886838
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
3-(2-anilino-1,3-thiazol-4-yl)-7-hydroxychromen-2-one
CID 5405778
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1253888
3-(4-methoxyphenyl)sulfanyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 41324862
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 1121734
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (CID 15263193) is 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is CCOc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1.
What is the InChIKey of 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is RWMMNUSUZBOPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-2-24-15-9-7-14(8-10-15)21-20-22-17(12-26-20)16-11-13-5-3-4-6-18(13)25-19(16)23/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 364.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 15263193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).