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

C18H19FN4S — CID 11035271

IUPACN-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1
InChIInChI=1S/C18H19FN4S/c1-4-20-15-11-13(9-10-21-15)17-16(22-18(24-3)23(17)2)12-5-7-14(19)8-6-12/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyCYGBQFZNIADYFY-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.44
Rot. Bonds5

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

N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (PubChem CID 11035271) has the molecular formula C18H19FN4S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
PubChem CID11035271
Molecular FormulaC18H19FN4S
Molecular Weight342.44 g/mol
Exact Mass342.13
IUPAC NameN-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1
InChIInChI=1S/C18H19FN4S/c1-4-20-15-11-13(9-10-21-15)17-16(22-18(24-3)23(17)2)12-5-7-14(19)8-6-12/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyCYGBQFZNIADYFY-UHFFFAOYSA-N
XLogP4.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.44
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
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
FR-79620
CID 10421577
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (CID 11035271) is N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is CCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1.
What is the InChIKey of N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The InChIKey is CYGBQFZNIADYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4S/c1-4-20-15-11-13(9-10-21-15)17-16(22-18(24-3)23(17)2)12-5-7-14(19)8-6-12/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11035271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).