7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one

C17H17NO3S — CID 933735

IUPAC7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC
InChIInChI=1S/C17H17NO3S/c1-4-11-6-12-15(7-14(11)20-5-2)21-8-13(16(12)19)17-18-10(3)9-22-17/h6-9H,4-5H2,1-3H3
InChIKeyRSUBSFUTPHFLEX-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.19
Rot. Bonds4

About 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one

7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 933735) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID933735
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC
InChIInChI=1S/C17H17NO3S/c1-4-11-6-12-15(7-14(11)20-5-2)21-8-13(16(12)19)17-18-10(3)9-22-17/h6-9H,4-5H2,1-3H3
InChIKeyRSUBSFUTPHFLEX-UHFFFAOYSA-N
XLogP4.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (CID 933735) is 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC.
What is the InChIKey of 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is RSUBSFUTPHFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-4-11-6-12-15(7-14(11)20-5-2)21-8-13(16(12)19)17-18-10(3)9-22-17/h6-9H,4-5H2,1-3H3.
What are the key properties of 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one has a molecular weight of 315.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 933735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).