4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

C16H15FN4S — CID 11012474

IUPAC4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N)c2)n1C
InChIInChI=1S/C16H15FN4S/c1-21-15(11-7-8-19-13(18)9-11)14(20-16(21)22-2)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H2,18,19)
InChIKeyZOZZCCRDTJOUDI-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (PubChem CID 11012474) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
PubChem CID11012474
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N)c2)n1C
InChIInChI=1S/C16H15FN4S/c1-21-15(11-7-8-19-13(18)9-11)14(20-16(21)22-2)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H2,18,19)
InChIKeyZOZZCCRDTJOUDI-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
L-790070
CID 9806182
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
VK-19911
CID 9797240
SB-242235
CID 9863367
FR-79620
CID 10421577

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (CID 11012474) is 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N)c2)n1C.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The InChIKey is ZOZZCCRDTJOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c1-21-15(11-7-8-19-13(18)9-11)14(20-16(21)22-2)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H2,18,19).
What are the key properties of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11012474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).