5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C20H18FN5OS — CID 86658559

IUPAC5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(Nc4cccc(C)n4)sc3F)cn2)cc1
InChIInChI=1S/C20H18FN5OS/c1-13-4-3-5-17(23-13)24-20-25-18(19(21)28-20)15-10-22-26(12-15)11-14-6-8-16(27-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,25)
InChIKeyGCKOEOYOSBFHFS-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.65
Rot. Bonds6

About 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 86658559) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID86658559
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(Nc4cccc(C)n4)sc3F)cn2)cc1
InChIInChI=1S/C20H18FN5OS/c1-13-4-3-5-17(23-13)24-20-25-18(19(21)28-20)15-10-22-26(12-15)11-14-6-8-16(27-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,25)
InChIKeyGCKOEOYOSBFHFS-UHFFFAOYSA-N
XLogP4.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 86658559) is 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(Cn2cc(-c3nc(Nc4cccc(C)n4)sc3F)cn2)cc1.
What is the InChIKey of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is GCKOEOYOSBFHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-13-4-3-5-17(23-13)24-20-25-18(19(21)28-20)15-10-22-26(12-15)11-14-6-8-16(27-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,25).
What are the key properties of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86658559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).