2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H17N3O4S — CID 79291389

IUPAC2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCNCC(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H17N3O4S/c1-18-5-4-12-6-9(15)13-3-2-10-14-8(7-19-10)11(16)17/h7,12H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyNSXFLUNVJKHFRN-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.26
Rot. Bonds9

About 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 79291389) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID79291389
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCNCC(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H17N3O4S/c1-18-5-4-12-6-9(15)13-3-2-10-14-8(7-19-10)11(16)17/h7,12H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyNSXFLUNVJKHFRN-UHFFFAOYSA-N
XLogP-0.26
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
2-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375396
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[2-[[2-(3-ethoxycyclobutyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 103162025
2-[2-(pent-4-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373116
2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 110461569
2-[2-[(2-methoxy-2-methylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114105269
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 79291389) is 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is COCCNCC(=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NSXFLUNVJKHFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-18-5-4-12-6-9(15)13-3-2-10-14-8(7-19-10)11(16)17/h7,12H,2-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of -0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79291389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).