3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid

C19H23N3O4S — CID 84555488

IUPAC3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C19H23N3O4S/c1-2-11-22(12-10-17(24)25)18(26)15-13-27-19(20-15)21-16(23)9-8-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyRVVXBKRZFYRAND-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.04
Rot. Bonds10

About 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid

3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid (PubChem CID 84555488) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid
PubChem CID84555488
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C19H23N3O4S/c1-2-11-22(12-10-17(24)25)18(26)15-13-27-19(20-15)21-16(23)9-8-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyRVVXBKRZFYRAND-UHFFFAOYSA-N
XLogP3.04
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid 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-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
2-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 84555961
ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 84556484
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551045
N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 4609583
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid?
The IUPAC name of 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid (CID 84555488) is 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid?
The canonical SMILES for 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid is CCCN(CCC(=O)O)C(=O)c1csc(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid?
The InChIKey is RVVXBKRZFYRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-11-22(12-10-17(24)25)18(26)15-13-27-19(20-15)21-16(23)9-8-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,24,25)(H,20,21,23).
What are the key properties of 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid?
3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid has a molecular weight of 389.48 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid is sourced from PubChem (CID 84555488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).