4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid

C18H19N3O3S — CID 120546740

IUPAC4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)Cc1csc2nccn12
InChIInChI=1S/C18H19N3O3S/c22-16(11-15-12-25-18-19-8-9-21(15)18)20-14(6-7-17(23)24)10-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,20,22)(H,23,24)
InChIKeySHTDGZRVCKJYNA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.53
Rot. Bonds8

About 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid

4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid (PubChem CID 120546740) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid
PubChem CID120546740
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)Cc1csc2nccn12
InChIInChI=1S/C18H19N3O3S/c22-16(11-15-12-25-18-19-8-9-21(15)18)20-14(6-7-17(23)24)10-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,20,22)(H,23,24)
InChIKeySHTDGZRVCKJYNA-UHFFFAOYSA-N
XLogP2.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic 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

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120546558
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-5-phenylpentanoic acid
CID 120690180
5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 120546713
4-[3-(4-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546620
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662
4-[3-(5-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546600

Frequently Asked Questions

What is the IUPAC name of 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid (CID 120546740) is 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)Cc1csc2nccn12.
What is the InChIKey of 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid?
The InChIKey is SHTDGZRVCKJYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(11-15-12-25-18-19-8-9-21(15)18)20-14(6-7-17(23)24)10-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,20,22)(H,23,24).
What are the key properties of 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid?
4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid has a molecular weight of 357.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).