N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine

C24H22N4O2S — CID 71293062

IUPACN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCc5ccncn5)s4)ccc3O2)cc1
InChIInChI=1S/C24H22N4O2S/c1-2-4-17(5-3-1)22-8-6-18-12-20(7-9-23(18)30-22)29-24-27-15-21(31-24)14-26-13-19-10-11-25-16-28-19/h1-5,7,9-12,15-16,22,26H,6,8,13-14H2
InChIKeyPWLBOLHFIMGMAW-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.08
Rot. Bonds7

About N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine

N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine (PubChem CID 71293062) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine
PubChem CID71293062
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCc5ccncn5)s4)ccc3O2)cc1
InChIInChI=1S/C24H22N4O2S/c1-2-4-17(5-3-1)22-8-6-18-12-20(7-9-23(18)30-22)29-24-27-15-21(31-24)14-26-13-19-10-11-25-16-28-19/h1-5,7,9-12,15-16,22,26H,6,8,13-14H2
InChIKeyPWLBOLHFIMGMAW-UHFFFAOYSA-N
XLogP5.08
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine?
The IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine (CID 71293062) is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine is c1ccc(C2CCc3cc(Oc4ncc(CNCc5ccncn5)s4)ccc3O2)cc1.
What is the InChIKey of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine?
The InChIKey is PWLBOLHFIMGMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-2-4-17(5-3-1)22-8-6-18-12-20(7-9-23(18)30-22)29-24-27-15-21(31-24)14-26-13-19-10-11-25-16-28-19/h1-5,7,9-12,15-16,22,26H,6,8,13-14H2.
What are the key properties of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine?
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine has a molecular weight of 430.53 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 71293062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).