3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide

C26H24N2O3S — CID 19220711

IUPAC3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC
InChIInChI=1S/C26H24N2O3S/c1-30-23-14-8-18(16-24(23)31-2)9-15-25(29)28-26-27-22(17-32-26)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-8,10-14,16-17H,9,15H2,1-2H3,(H,27,28,29)
InChIKeyOCMBRHQOPGHQEN-UHFFFAOYSA-N
MW444.56 g/mol
LogP6.07
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide

3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19220711) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19220711
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC
InChIInChI=1S/C26H24N2O3S/c1-30-23-14-8-18(16-24(23)31-2)9-15-25(29)28-26-27-22(17-32-26)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-8,10-14,16-17H,9,15H2,1-2H3,(H,27,28,29)
InChIKeyOCMBRHQOPGHQEN-UHFFFAOYSA-N
XLogP6.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32622827
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide (CID 19220711) is 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(CCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is OCMBRHQOPGHQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-30-23-14-8-18(16-24(23)31-2)9-15-25(29)28-26-27-22(17-32-26)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-8,10-14,16-17H,9,15H2,1-2H3,(H,27,28,29).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 444.56 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19220711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).