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

C19H17N5O3S — CID 71529591

IUPACmethyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(OC)cc4OC)c3c2s1
InChIInChI=1S/C19H17N5O3S/c1-25-10-4-5-11(14(8-10)26-2)23-18-15-12(21-9-22-18)6-7-13-16(15)28-19(24-13)17(20)27-3/h4-9,20H,1-3H3,(H,21,22,23)/b20-17-
InChIKeyCLIWAKTWXZNUAC-JZJYNLBNSA-N
MW395.44 g/mol
LogP3.97
Rot. Bonds5

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

methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 71529591) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namemethyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID71529591
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Namemethyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(OC)cc4OC)c3c2s1
InChIInChI=1S/C19H17N5O3S/c1-25-10-4-5-11(14(8-10)26-2)23-18-15-12(21-9-22-18)6-7-13-16(15)28-19(24-13)17(20)27-3/h4-9,20H,1-3H3,(H,21,22,23)/b20-17-
InChIKeyCLIWAKTWXZNUAC-JZJYNLBNSA-N
XLogP3.97
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 71529591) is methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(OC)cc4OC)c3c2s1.
What is the InChIKey of methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is CLIWAKTWXZNUAC-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-25-10-4-5-11(14(8-10)26-2)23-18-15-12(21-9-22-18)6-7-13-16(15)28-19(24-13)17(20)27-3/h4-9,20H,1-3H3,(H,21,22,23)/b20-17-.
What are the key properties of methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 395.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 71529591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).