N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine

C22H18FN3OS — CID 169196524

IUPACN-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
SMILESCc1nc(-c2ccccc2)c(Oc2ccnc(NCc3ccc(F)cc3)c2)s1
InChIInChI=1S/C22H18FN3OS/c1-15-26-21(17-5-3-2-4-6-17)22(28-15)27-19-11-12-24-20(13-19)25-14-16-7-9-18(23)10-8-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyJMNVYHAOUXWEOD-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.06
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine

N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine (PubChem CID 169196524) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
PubChem CID169196524
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
SMILESCc1nc(-c2ccccc2)c(Oc2ccnc(NCc3ccc(F)cc3)c2)s1
InChIInChI=1S/C22H18FN3OS/c1-15-26-21(17-5-3-2-4-6-17)22(28-15)27-19-11-12-24-20(13-19)25-14-16-7-9-18(23)10-8-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyJMNVYHAOUXWEOD-UHFFFAOYSA-N
XLogP6.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]phenyl]propanenitrile
CID 169196595
N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 67537630
2-methyl-5-phenoxy-4-phenyl-1,3-thiazole
CID 154105354
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617753
N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
CID 72706434
N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11732208
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 11101536
1-[(4-fluorophenyl)methyl]-3-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8943086
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine (CID 169196524) is N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine is Cc1nc(-c2ccccc2)c(Oc2ccnc(NCc3ccc(F)cc3)c2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine?
The InChIKey is JMNVYHAOUXWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-15-26-21(17-5-3-2-4-6-17)22(28-15)27-19-11-12-24-20(13-19)25-14-16-7-9-18(23)10-8-16/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine?
N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine has a molecular weight of 391.47 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine is sourced from PubChem (CID 169196524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).