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

C20H14FN3O3S — CID 4248630

IUPAC2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12
InChIInChI=1S/C20H14FN3O3S/c1-26-16-4-2-3-12-11-15(18(25)24-20-22-9-10-28-20)19(27-17(12)16)23-14-7-5-13(21)6-8-14/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyJKCUYZNZFCCSJB-NMWGTECJSA-N
MW395.42 g/mol
LogP4.52
Rot. Bonds4

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

2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4248630) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4248630
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12
InChIInChI=1S/C20H14FN3O3S/c1-26-16-4-2-3-12-11-15(18(25)24-20-22-9-10-28-20)19(27-17(12)16)23-14-7-5-13(21)6-8-14/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyJKCUYZNZFCCSJB-NMWGTECJSA-N
XLogP4.52
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4248630) is 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12.
What is the InChIKey of 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is JKCUYZNZFCCSJB-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-26-16-4-2-3-12-11-15(18(25)24-20-22-9-10-28-20)19(27-17(12)16)23-14-7-5-13(21)6-8-14/h2-11H,1H3,(H,22,24,25)/b23-19-.
What are the key properties of 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4248630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).