methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

C18H14FN5O2S — CID 73347380

IUPACmethyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1
InChIInChI=1S/C18H14FN5O2S/c1-25-13-7-9(19)3-4-10(13)23-17-14-11(21-8-22-17)5-6-12-15(14)27-18(24-12)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16-
InChIKeyZPXSIWLYMMFFCE-SILNSSARSA-N
MW383.41 g/mol
LogP4.10
Rot. Bonds4

About methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 73347380) has the molecular formula C18H14FN5O2S and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namemethyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID73347380
Molecular FormulaC18H14FN5O2S
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC Namemethyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1
InChIInChI=1S/C18H14FN5O2S/c1-25-13-7-9(19)3-4-10(13)23-17-14-11(21-8-22-17)5-6-12-15(14)27-18(24-12)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16-
InChIKeyZPXSIWLYMMFFCE-SILNSSARSA-N
XLogP4.10
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 73347380) is methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1.
What is the InChIKey of methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is ZPXSIWLYMMFFCE-SILNSSARSA-N. The full InChI is InChI=1S/C18H14FN5O2S/c1-25-13-7-9(19)3-4-10(13)23-17-14-11(21-8-22-17)5-6-12-15(14)27-18(24-12)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16-.
What are the key properties of methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 383.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(4-fluoro-2-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 73347380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).