5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine

C19H18Br2N4OS — CID 167745561

IUPAC5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESBrc1cccc(-c2nc(CNc3cc(N4CCOCC4)c(Br)cn3)cs2)c1
InChIInChI=1S/C19H18Br2N4OS/c20-14-3-1-2-13(8-14)19-24-15(12-27-19)10-22-18-9-17(16(21)11-23-18)25-4-6-26-7-5-25/h1-3,8-9,11-12H,4-7,10H2,(H,22,23)
InChIKeyNWKROTQWGDGJNA-UHFFFAOYSA-N
MW510.26 g/mol
LogP5.18
Rot. Bonds5

About 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine

5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 167745561) has the molecular formula C19H18Br2N4OS and a molecular weight of 510.26 g/mol. Its IUPAC name is 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID167745561
Molecular FormulaC19H18Br2N4OS
Molecular Weight510.26 g/mol
Exact Mass507.96
IUPAC Name5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESBrc1cccc(-c2nc(CNc3cc(N4CCOCC4)c(Br)cn3)cs2)c1
InChIInChI=1S/C19H18Br2N4OS/c20-14-3-1-2-13(8-14)19-24-15(12-27-19)10-22-18-9-17(16(21)11-23-18)25-4-6-26-7-5-25/h1-3,8-9,11-12H,4-7,10H2,(H,22,23)
InChIKeyNWKROTQWGDGJNA-UHFFFAOYSA-N
XLogP5.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.26
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine (CID 167745561) is 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine is Brc1cccc(-c2nc(CNc3cc(N4CCOCC4)c(Br)cn3)cs2)c1.
What is the InChIKey of 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is NWKROTQWGDGJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2N4OS/c20-14-3-1-2-13(8-14)19-24-15(12-27-19)10-22-18-9-17(16(21)11-23-18)25-4-6-26-7-5-25/h1-3,8-9,11-12H,4-7,10H2,(H,22,23).
What are the key properties of 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine?
5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 510.26 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 167745561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).