S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine

C14H12F3N5S — CID 142423879

IUPACS-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine
SMILESNS/C=C(\N)Cc1nc2c(cnc3ccc(C(F)(F)F)cc32)[nH]1
InChIInChI=1S/C14H12F3N5S/c15-14(16,17)7-1-2-10-9(3-7)13-11(5-20-10)21-12(22-13)4-8(18)6-23-19/h1-3,5-6H,4,18-19H2,(H,21,22)/b8-6-
InChIKeyNLRMFZBWNLUZKK-VURMDHGXSA-N
MW339.35 g/mol
LogP3.08
Rot. Bonds3

About S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine

S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine (PubChem CID 142423879) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine
PubChem CID142423879
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC NameS-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine
SMILESNS/C=C(\N)Cc1nc2c(cnc3ccc(C(F)(F)F)cc32)[nH]1
InChIInChI=1S/C14H12F3N5S/c15-14(16,17)7-1-2-10-9(3-7)13-11(5-20-10)21-12(22-13)4-8(18)6-23-19/h1-3,5-6H,4,18-19H2,(H,21,22)/b8-6-
InChIKeyNLRMFZBWNLUZKK-VURMDHGXSA-N
XLogP3.08
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole
CID 126666676
2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide
CID 177377064
2-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinoline
CID 14207820
3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
CID 69335263
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 141322057
2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]ethanethioamide
CID 84614990
8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
CID 126712421
6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide
CID 172562577
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide
CID 25174759
2-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)acetic acid
CID 142379920
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066

Frequently Asked Questions

What is the IUPAC name of S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine?
The IUPAC name of S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine (CID 142423879) is S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine.
What is the SMILES notation for S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine?
The canonical SMILES for S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine is NS/C=C(\N)Cc1nc2c(cnc3ccc(C(F)(F)F)cc32)[nH]1.
What is the InChIKey of S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine?
The InChIKey is NLRMFZBWNLUZKK-VURMDHGXSA-N. The full InChI is InChI=1S/C14H12F3N5S/c15-14(16,17)7-1-2-10-9(3-7)13-11(5-20-10)21-12(22-13)4-8(18)6-23-19/h1-3,5-6H,4,18-19H2,(H,21,22)/b8-6-.
What are the key properties of S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine?
S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine has a molecular weight of 339.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine is sourced from PubChem (CID 142423879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).