8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C21H16FN3O3S — CID 4253099

IUPAC8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12
InChIInChI=1S/C21H16FN3O3S/c1-2-27-17-5-3-4-13-12-16(19(26)25-21-23-10-11-29-21)20(28-18(13)17)24-15-8-6-14(22)7-9-15/h3-12H,2H2,1H3,(H,23,25,26)/b24-20-
InChIKeyIEYHYZNOQFZXNJ-GFMRDNFCSA-N
MW409.44 g/mol
LogP4.91
Rot. Bonds5

About 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4253099) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4253099
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12
InChIInChI=1S/C21H16FN3O3S/c1-2-27-17-5-3-4-13-12-16(19(26)25-21-23-10-11-29-21)20(28-18(13)17)24-15-8-6-14(22)7-9-15/h3-12H,2H2,1H3,(H,23,25,26)/b24-20-
InChIKeyIEYHYZNOQFZXNJ-GFMRDNFCSA-N
XLogP4.91
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4253099) is 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12.
What is the InChIKey of 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is IEYHYZNOQFZXNJ-GFMRDNFCSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-2-27-17-5-3-4-13-12-16(19(26)25-21-23-10-11-29-21)20(28-18(13)17)24-15-8-6-14(22)7-9-15/h3-12H,2H2,1H3,(H,23,25,26)/b24-20-.
What are the key properties of 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4253099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).