methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

C17H13N5OS — CID 71529598

IUPACmethyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccccc4)c3c2s1
InChIInChI=1S/C17H13N5OS/c1-23-15(18)17-22-12-8-7-11-13(14(12)24-17)16(20-9-19-11)21-10-5-3-2-4-6-10/h2-9,18H,1H3,(H,19,20,21)/b18-15-
InChIKeyBIMZUQRAGIDOLB-SDXDJHTJSA-N
MW335.39 g/mol
LogP3.95
Rot. Bonds3

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

methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 71529598) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namemethyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID71529598
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Namemethyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccccc4)c3c2s1
InChIInChI=1S/C17H13N5OS/c1-23-15(18)17-22-12-8-7-11-13(14(12)24-17)16(20-9-19-11)21-10-5-3-2-4-6-10/h2-9,18H,1H3,(H,19,20,21)/b18-15-
InChIKeyBIMZUQRAGIDOLB-SDXDJHTJSA-N
XLogP3.95
TPSA83.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 71529598) is methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccccc4)c3c2s1.
What is the InChIKey of methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is BIMZUQRAGIDOLB-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-23-15(18)17-22-12-8-7-11-13(14(12)24-17)16(20-9-19-11)21-10-5-3-2-4-6-10/h2-9,18H,1H3,(H,19,20,21)/b18-15-.
What are the key properties of methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 335.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 71529598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).