2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

C9H14N2O2S — CID 94256908

IUPAC2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCNCCc1nc(CC(=O)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-2-10-4-3-8-11-7(6-14-8)5-9(12)13/h6,10H,2-5H2,1H3,(H,12,13)
InChIKeyKEICHGZQNYTVFL-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 94256908) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID94256908
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCNCCc1nc(CC(=O)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-2-10-4-3-8-11-7(6-14-8)5-9(12)13/h6,10H,2-5H2,1H3,(H,12,13)
InChIKeyKEICHGZQNYTVFL-UHFFFAOYSA-N
XLogP0.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.92
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

2-[2-[2-[3-(dimethylamino)propylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123896
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 65129995
2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82054960
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 106815851
2-[2-[[(2,3,4-trimethylphenyl)methylamino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 167847700

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 94256908) is 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is CCNCCc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KEICHGZQNYTVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-10-4-3-8-11-7(6-14-8)5-9(12)13/h6,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 214.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 94256908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).