2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide

C21H22N2O3S — CID 16557171

IUPAC2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3OC)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-4-5-14-6-8-15(9-7-14)18-13-27-21(22-18)23-20(24)17-12-16(25-2)10-11-19(17)26-3/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyMCLDLBQBKBYZJM-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.03
Rot. Bonds7

About 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide

2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16557171) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16557171
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3OC)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-4-5-14-6-8-15(9-7-14)18-13-27-21(22-18)23-20(24)17-12-16(25-2)10-11-19(17)26-3/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyMCLDLBQBKBYZJM-UHFFFAOYSA-N
XLogP5.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848719
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 9047093
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
5-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 47846073

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (CID 16557171) is 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is CCCc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3OC)n2)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MCLDLBQBKBYZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-4-5-14-6-8-15(9-7-14)18-13-27-21(22-18)23-20(24)17-12-16(25-2)10-11-19(17)26-3/h6-13H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16557171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).