5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine

C18H14FN5OS — CID 59137471

IUPAC5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2nccs2)cnc1N
InChIInChI=1S/C18H14FN5OS/c1-25-13-8-11(9-22-16(13)20)14-15(18-21-6-7-26-18)24-17(23-14)10-2-4-12(19)5-3-10/h2-9H,1H3,(H2,20,22)(H,23,24)
InChIKeyRZFQRTIOCHCLCN-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.99
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine

5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine (PubChem CID 59137471) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
PubChem CID59137471
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC Name5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2nccs2)cnc1N
InChIInChI=1S/C18H14FN5OS/c1-25-13-8-11(9-22-16(13)20)14-15(18-21-6-7-26-18)24-17(23-14)10-2-4-12(19)5-3-10/h2-9H,1H3,(H2,20,22)(H,23,24)
InChIKeyRZFQRTIOCHCLCN-UHFFFAOYSA-N
XLogP3.99
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
The IUPAC name of 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine (CID 59137471) is 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
The canonical SMILES for 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine is COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2nccs2)cnc1N.
What is the InChIKey of 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
The InChIKey is RZFQRTIOCHCLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-25-13-8-11(9-22-16(13)20)14-15(18-21-6-7-26-18)24-17(23-14)10-2-4-12(19)5-3-10/h2-9H,1H3,(H2,20,22)(H,23,24).
What are the key properties of 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine has a molecular weight of 367.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 59137471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).