5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile

C14H9FN4S — CID 82015748

IUPAC5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1ccnc2c1[nH]c(=S)n2-c1ccc(F)cc1C#N
InChIInChI=1S/C14H9FN4S/c1-8-4-5-17-13-12(8)18-14(20)19(13)11-3-2-10(15)6-9(11)7-16/h2-6H,1H3,(H,18,20)
InChIKeyMYFXMJQOADBNNZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.40
Rot. Bonds1

About 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile

5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile (PubChem CID 82015748) has the molecular formula C14H9FN4S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
PubChem CID82015748
Molecular FormulaC14H9FN4S
Molecular Weight284.32 g/mol
Exact Mass284.05
IUPAC Name5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1ccnc2c1[nH]c(=S)n2-c1ccc(F)cc1C#N
InChIInChI=1S/C14H9FN4S/c1-8-4-5-17-13-12(8)18-14(20)19(13)11-3-2-10(15)6-9(11)7-16/h2-6H,1H3,(H,18,20)
InChIKeyMYFXMJQOADBNNZ-UHFFFAOYSA-N
XLogP3.40
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
Indolinyl(3-pyridylamino)methane-1-thione
CID 715759
1-(4-methylpyridin-2-yl)-3-[(3R)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thiourea
CID 49853180
(3R)-N-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-1-carbothioamide
CID 49853302
N-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carbothioamide
CID 49853323
N-(4-methylpyridin-2-yl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 49853360
4-(Dimethylamino)-2-(4-fluoroanilino)nicotinonitrile
CID 1470929
3-(4-Fluoro-phenyl)-3H-imidazo[4,5-b]pyridine-2-thiol
CID 6502072
1-(4-methyl-2-pyridinyl)-3-[(3S)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thiourea
CID 49852849
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49853166
4-(4-cyanophenyl)-N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49853318
4-(5-Fluoro-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 71469232

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile (CID 82015748) is 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile is Cc1ccnc2c1[nH]c(=S)n2-c1ccc(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
The InChIKey is MYFXMJQOADBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4S/c1-8-4-5-17-13-12(8)18-14(20)19(13)11-3-2-10(15)6-9(11)7-16/h2-6H,1H3,(H,18,20).
What are the key properties of 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile has a molecular weight of 284.32 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 82015748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).