1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one

C25H23N3O3S — CID 67854791

IUPAC1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one
SMILESCOc1ccc(-c2nc(C(N)(C(C)=O)c3cccnc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-16(29)25(26,19-5-4-14-27-15-19)24-28-22(17-6-10-20(30-2)11-7-17)23(32-24)18-8-12-21(31-3)13-9-18/h4-15H,26H2,1-3H3
InChIKeyZQYRDIDNPZIBSP-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.68
Rot. Bonds7

About 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one

1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one (PubChem CID 67854791) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one
PubChem CID67854791
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one
SMILESCOc1ccc(-c2nc(C(N)(C(C)=O)c3cccnc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-16(29)25(26,19-5-4-14-27-15-19)24-28-22(17-6-10-20(30-2)11-7-17)23(32-24)18-8-12-21(31-3)13-9-18/h4-15H,26H2,1-3H3
InChIKeyZQYRDIDNPZIBSP-UHFFFAOYSA-N
XLogP4.68
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
CID 67854777
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
CID 87970212
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
4-methoxybenzoic acid;pyridine
CID 174860408
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one (CID 67854791) is 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one is COc1ccc(-c2nc(C(N)(C(C)=O)c3cccnc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one?
The InChIKey is ZQYRDIDNPZIBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-16(29)25(26,19-5-4-14-27-15-19)24-28-22(17-6-10-20(30-2)11-7-17)23(32-24)18-8-12-21(31-3)13-9-18/h4-15H,26H2,1-3H3.
What are the key properties of 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one?
1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one has a molecular weight of 445.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 67854791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).