propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate

C24H27N3O4S2 — CID 55649375

IUPACpropan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate
SMILESCc1ccc(C(CC(=O)OC(C)C)NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-15(2)31-23(30)13-20(17-8-6-16(3)7-9-17)26-21(28)11-18-14-33-24(25-18)27-22(29)12-19-5-4-10-32-19/h4-10,14-15,20H,11-13H2,1-3H3,(H,26,28)(H,25,27,29)
InChIKeyFLEGYOCWTLLPDL-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.44
Rot. Bonds10

About propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate

propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate (PubChem CID 55649375) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate
PubChem CID55649375
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Namepropan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate
SMILESCc1ccc(C(CC(=O)OC(C)C)NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-15(2)31-23(30)13-20(17-8-6-16(3)7-9-17)26-21(28)11-18-14-33-24(25-18)27-22(29)12-19-5-4-10-32-19/h4-10,14-15,20H,11-13H2,1-3H3,(H,26,28)(H,25,27,29)
InChIKeyFLEGYOCWTLLPDL-UHFFFAOYSA-N
XLogP4.44
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

Analyze propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate 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-[4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55650603
methyl 2-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 46432778
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoate
CID 55440674
(3R)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925629
(3S)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925632
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55912219
propan-2-yl 3-(4-methylphenyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate
CID 42920378

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate (CID 55649375) is propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate is Cc1ccc(C(CC(=O)OC(C)C)NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1.
What is the InChIKey of propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate?
The InChIKey is FLEGYOCWTLLPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-15(2)31-23(30)13-20(17-8-6-16(3)7-9-17)26-21(28)11-18-14-33-24(25-18)27-22(29)12-19-5-4-10-32-19/h4-10,14-15,20H,11-13H2,1-3H3,(H,26,28)(H,25,27,29).
What are the key properties of propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate?
propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate has a molecular weight of 485.63 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-methylphenyl)-3-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoate is sourced from PubChem (CID 55649375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).