3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine

C15H13F3N6S — CID 9396989

IUPAC3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine
SMILESC/C(=N/Nc1nc(C(F)(F)F)nc2ccccc12)c1c(C)nsc1N
InChIInChI=1S/C15H13F3N6S/c1-7(11-8(2)24-25-12(11)19)22-23-13-9-5-3-4-6-10(9)20-14(21-13)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,21,23)/b22-7-
InChIKeyQTBVSKRNHKSFSL-HOEBFWFUSA-N
MW366.37 g/mol
LogP3.83
Rot. Bonds3

About 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine

3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine (PubChem CID 9396989) has the molecular formula C15H13F3N6S and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine
PubChem CID9396989
Molecular FormulaC15H13F3N6S
Molecular Weight366.37 g/mol
Exact Mass366.09
IUPAC Name3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine
SMILESC/C(=N/Nc1nc(C(F)(F)F)nc2ccccc12)c1c(C)nsc1N
InChIInChI=1S/C15H13F3N6S/c1-7(11-8(2)24-25-12(11)19)22-23-13-9-5-3-4-6-10(9)20-14(21-13)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,21,23)/b22-7-
InChIKeyQTBVSKRNHKSFSL-HOEBFWFUSA-N
XLogP3.83
TPSA89.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylidene]hydrazinyl]-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 9397404
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982089
5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9397289
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 135729379
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 16747364
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine (CID 9396989) is 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine is C/C(=N/Nc1nc(C(F)(F)F)nc2ccccc12)c1c(C)nsc1N.
What is the InChIKey of 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine?
The InChIKey is QTBVSKRNHKSFSL-HOEBFWFUSA-N. The full InChI is InChI=1S/C15H13F3N6S/c1-7(11-8(2)24-25-12(11)19)22-23-13-9-5-3-4-6-10(9)20-14(21-13)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,21,23)/b22-7-.
What are the key properties of 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine?
3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine has a molecular weight of 366.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 9396989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).