N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C20H15FN4OS — CID 10270995

IUPACN-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1cc(F)cc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H15FN4OS/c1-26-17-11-14(9-15(21)12-17)13-3-2-4-16(10-13)24-20-23-6-5-18(25-20)19-22-7-8-27-19/h2-12H,1H3,(H,23,24,25)
InChIKeyWQTFAIUTRYJOJO-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.16
Rot. Bonds5

About N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10270995) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10270995
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1cc(F)cc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H15FN4OS/c1-26-17-11-14(9-15(21)12-17)13-3-2-4-16(10-13)24-20-23-6-5-18(25-20)19-22-7-8-27-19/h2-12H,1H3,(H,23,24,25)
InChIKeyWQTFAIUTRYJOJO-UHFFFAOYSA-N
XLogP5.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10270995) is N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is COc1cc(F)cc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.
What is the InChIKey of N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is WQTFAIUTRYJOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-26-17-11-14(9-15(21)12-17)13-3-2-4-16(10-13)24-20-23-6-5-18(25-20)19-22-7-8-27-19/h2-12H,1H3,(H,23,24,25).
What are the key properties of N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 378.43 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-5-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10270995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).