1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C26H23N5O2S — CID 71293120

IUPAC1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCc5nnc6ccccn56)s4)ccc3O2)cc1
InChIInChI=1S/C26H23N5O2S/c1-2-6-18(7-3-1)22-11-9-19-14-20(10-12-23(19)33-22)32-26-28-16-21(34-26)15-27-17-25-30-29-24-8-4-5-13-31(24)25/h1-8,10,12-14,16,22,27H,9,11,15,17H2
InChIKeyLBBQSLBCIHYVGJ-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.33
Rot. Bonds7

About 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 71293120) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID71293120
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCc5nnc6ccccn56)s4)ccc3O2)cc1
InChIInChI=1S/C26H23N5O2S/c1-2-6-18(7-3-1)22-11-9-19-14-20(10-12-23(19)33-22)32-26-28-16-21(34-26)15-27-17-25-30-29-24-8-4-5-13-31(24)25/h1-8,10,12-14,16,22,27H,9,11,15,17H2
InChIKeyLBBQSLBCIHYVGJ-UHFFFAOYSA-N
XLogP5.33
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 71293120) is 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is c1ccc(C2CCc3cc(Oc4ncc(CNCc5nnc6ccccn56)s4)ccc3O2)cc1.
What is the InChIKey of 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is LBBQSLBCIHYVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-2-6-18(7-3-1)22-11-9-19-14-20(10-12-23(19)33-22)32-26-28-16-21(34-26)15-27-17-25-30-29-24-8-4-5-13-31(24)25/h1-8,10,12-14,16,22,27H,9,11,15,17H2.
What are the key properties of 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 469.57 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 71293120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).