N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C16H19F3N4S — CID 71896580

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(=NNc1ccc(C(F)(F)F)cn1)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C16H19F3N4S/c1-9-13(24-14(21-9)15(3,4)5)10(2)22-23-12-7-6-11(8-20-12)16(17,18)19/h6-8H,1-5H3,(H,20,23)
InChIKeyHZZWUDVZMOHOSV-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.00
Rot. Bonds3

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 71896580) has the molecular formula C16H19F3N4S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID71896580
Molecular FormulaC16H19F3N4S
Molecular Weight356.42 g/mol
Exact Mass356.13
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(=NNc1ccc(C(F)(F)F)cn1)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C16H19F3N4S/c1-9-13(24-14(21-9)15(3,4)5)10(2)22-23-12-7-6-11(8-20-12)16(17,18)19/h6-8H,1-5H3,(H,20,23)
InChIKeyHZZWUDVZMOHOSV-UHFFFAOYSA-N
XLogP5.00
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933237
N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 18269652
4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 55617594
1-tert-butyl-3-[1-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]thiourea
CID 2746328
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid
CID 151382008
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 46799583
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine
CID 6399946

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 71896580) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is CC(=NNc1ccc(C(F)(F)F)cn1)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HZZWUDVZMOHOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4S/c1-9-13(24-14(21-9)15(3,4)5)10(2)22-23-12-7-6-11(8-20-12)16(17,18)19/h6-8H,1-5H3,(H,20,23).
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 356.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71896580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).