5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine

C14H15BrF3N5S — CID 135246325

IUPAC5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine
SMILESCCSc1cc(Br)cnc1-c1nc(/C=C(\N)C(F)(F)F)c(N)n1C
InChIInChI=1S/C14H15BrF3N5S/c1-3-24-9-4-7(15)6-21-11(9)13-22-8(12(20)23(13)2)5-10(19)14(16,17)18/h4-6H,3,19-20H2,1-2H3/b10-5-
InChIKeyBQRBFKRQLPMKJR-YHYXMXQVSA-N
MW422.27 g/mol
LogP3.80
Rot. Bonds4

About 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine

5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine (PubChem CID 135246325) has the molecular formula C14H15BrF3N5S and a molecular weight of 422.27 g/mol. Its IUPAC name is 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine
PubChem CID135246325
Molecular FormulaC14H15BrF3N5S
Molecular Weight422.27 g/mol
Exact Mass421.02
IUPAC Name5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine
SMILESCCSc1cc(Br)cnc1-c1nc(/C=C(\N)C(F)(F)F)c(N)n1C
InChIInChI=1S/C14H15BrF3N5S/c1-3-24-9-4-7(15)6-21-11(9)13-22-8(12(20)23(13)2)5-10(19)14(16,17)18/h4-6H,3,19-20H2,1-2H3/b10-5-
InChIKeyBQRBFKRQLPMKJR-YHYXMXQVSA-N
XLogP3.80
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-[5-(6-chloro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methylimidazol-4-amine
CID 135246404
1-[[6-[5-amino-4-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-ethylsulfanyl-3-pyridinyl]amino]cyclopropane-1-carbonitrile
CID 155577376
5-bromo-3-ethylsulfanyl-2-[4-methyl-5-(2,2,3,3,3-pentafluoropropyl)-1,2,4-triazol-3-yl]pyridine
CID 167506978
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
CID 138497914
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)-5H-benzimidazol-4-one
CID 145017721
5-bromo-3-ethylsulfanyl-2-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]pyridine;5-bromo-3-ethylsulfanylpyridine-2-carbohydrazide;ethyl N-methyl-4-(trifluoromethyl)pyridine-2-carboximidothioate
CID 161363803
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 118865137
2-[5-[(1E,3Z)-2-chloropenta-1,3-dienyl]-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 145301709
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine
CID 175586904
2-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]acetic acid
CID 175052393

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine?
The IUPAC name of 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine (CID 135246325) is 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine?
The canonical SMILES for 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine is CCSc1cc(Br)cnc1-c1nc(/C=C(\N)C(F)(F)F)c(N)n1C.
What is the InChIKey of 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine?
The InChIKey is BQRBFKRQLPMKJR-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H15BrF3N5S/c1-3-24-9-4-7(15)6-21-11(9)13-22-8(12(20)23(13)2)5-10(19)14(16,17)18/h4-6H,3,19-20H2,1-2H3/b10-5-.
What are the key properties of 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine?
5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine has a molecular weight of 422.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 135246325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).