5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid

C11H18N2O2S — CID 103263524

IUPAC5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
SMILESCc1cnc(C(C)NCCCCC(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-8-7-13-11(16-8)9(2)12-6-4-3-5-10(14)15/h7,9,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyDAOGXQLXESXEKA-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.36
Rot. Bonds7

About 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid

5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid (PubChem CID 103263524) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
PubChem CID103263524
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
SMILESCc1cnc(C(C)NCCCCC(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-8-7-13-11(16-8)9(2)12-6-4-3-5-10(14)15/h7,9,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyDAOGXQLXESXEKA-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentanoic acid
CID 103244595
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
N-(2-methylsulfanylethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579941
2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104579964
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]butanoic acid
CID 60782598
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
methyl (Z)-2-ethyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 103263533
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642
3-[2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]benzoic acid
CID 103263529
3-methyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103263537

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid (CID 103263524) is 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid is Cc1cnc(C(C)NCCCCC(=O)O)s1.
What is the InChIKey of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
The InChIKey is DAOGXQLXESXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-7-13-11(16-8)9(2)12-6-4-3-5-10(14)15/h7,9,12H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid?
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 103263524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).