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

C18H12F3N5OS — CID 71529624

IUPACmethyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(C(F)(F)F)cc4)c3c2s1
InChIInChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)/b22-15-
InChIKeyNFPDLDFOSLPKHQ-JCMHNJIXSA-N
MW403.39 g/mol
LogP4.97
Rot. Bonds3

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

methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 71529624) has the molecular formula C18H12F3N5OS and a molecular weight of 403.39 g/mol. Its IUPAC name is methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namemethyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID71529624
Molecular FormulaC18H12F3N5OS
Molecular Weight403.39 g/mol
Exact Mass403.07
IUPAC Namemethyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(C(F)(F)F)cc4)c3c2s1
InChIInChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)/b22-15-
InChIKeyNFPDLDFOSLPKHQ-JCMHNJIXSA-N
XLogP4.97
TPSA83.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.97
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'}

Analyze methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 9-((2-fluoro-4-methoxyphenyl)amino)thiazolo[5,4-f]quinazoline-2-carbimidate
CID 71529602
Methyl 9-(4-chloro-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529609
Methyl 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529752
Methyl 9-(4-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529599
Methyl 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529610
Methyl 9-(2,4-difluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529622
Methyl 9-(4-chloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529770
Methyl 9-(2-bromo-4-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71608036
Methyl 9-(2-chloro-4-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 73345875
9-(4-Bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
CID 71277772
Methyl 9-(4-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529600
Methyl 9-(3-fluoro-4-hydroxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 136244455

Frequently Asked Questions

What is the IUPAC name of methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 71529624) is methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(C(F)(F)F)cc4)c3c2s1.
What is the InChIKey of methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is NFPDLDFOSLPKHQ-JCMHNJIXSA-N. The full InChI is InChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)/b22-15-.
What are the key properties of methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 403.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 71529624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).