1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C23H20N4O2S — CID 56567735

IUPAC1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCc2cscn2)c1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H20N4O2S/c28-23(26-18-9-6-10-20(13-18)29-14-19-15-30-16-25-19)27-22(17-7-2-1-3-8-17)21-11-4-5-12-24-21/h1-13,15-16,22H,14H2,(H2,26,27,28)
InChIKeyGGRYLJNKAQDLDS-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.03
Rot. Bonds7

About 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 56567735) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID56567735
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCc2cscn2)c1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H20N4O2S/c28-23(26-18-9-6-10-20(13-18)29-14-19-15-30-16-25-19)27-22(17-7-2-1-3-8-17)21-11-4-5-12-24-21/h1-13,15-16,22H,14H2,(H2,26,27,28)
InChIKeyGGRYLJNKAQDLDS-UHFFFAOYSA-N
XLogP5.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567767
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 46546333
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567827
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568207
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657
[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 56567735) is 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is O=C(Nc1cccc(OCc2cscn2)c1)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is GGRYLJNKAQDLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-23(26-18-9-6-10-20(13-18)29-14-19-15-30-16-25-19)27-22(17-7-2-1-3-8-17)21-11-4-5-12-24-21/h1-13,15-16,22H,14H2,(H2,26,27,28).
What are the key properties of 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 416.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 56567735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).