N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide

C22H23N3O3S — CID 26723816

IUPACN-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccccc2C)n1
InChIInChI=1S/C22H23N3O3S/c1-14-8-9-19(28-3)17(12-14)18-13-29-22(24-18)25-20(26)10-11-23-21(27)16-7-5-4-6-15(16)2/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyBFBSHPWQSVQMJW-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.19
Rot. Bonds7

About N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 26723816) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID26723816
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccccc2C)n1
InChIInChI=1S/C22H23N3O3S/c1-14-8-9-19(28-3)17(12-14)18-13-29-22(24-18)25-20(26)10-11-23-21(27)16-7-5-4-6-15(16)2/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyBFBSHPWQSVQMJW-UHFFFAOYSA-N
XLogP4.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide 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

N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 32649718
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630708
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 134051470
N-[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 18290094

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide (CID 26723816) is N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide is COc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccccc2C)n1.
What is the InChIKey of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is BFBSHPWQSVQMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-8-9-19(28-3)17(12-14)18-13-29-22(24-18)25-20(26)10-11-23-21(27)16-7-5-4-6-15(16)2/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 26723816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).