4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid

C11H16N2O4S — CID 80656491

IUPAC4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESCCOCC(=O)Nc1nc(CCCC(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-2-17-6-9(14)13-11-12-8(7-18-11)4-3-5-10(15)16/h7H,2-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyINYXZJOVSNVEOJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.53
Rot. Bonds8

About 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid

4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80656491) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID80656491
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESCCOCC(=O)Nc1nc(CCCC(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-2-17-6-9(14)13-11-12-8(7-18-11)4-3-5-10(15)16/h7H,2-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyINYXZJOVSNVEOJ-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655639
4-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656276
4-[2-[[(Z)-2-methylpent-2-enoyl]amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655533
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
4-[2-(pent-4-ynoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 114028540
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656494
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170611
4-[2-(2,2,2-trifluoroethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656087
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid (CID 80656491) is 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid is CCOCC(=O)Nc1nc(CCCC(=O)O)cs1.
What is the InChIKey of 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is INYXZJOVSNVEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-17-6-9(14)13-11-12-8(7-18-11)4-3-5-10(15)16/h7H,2-6H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid?
4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80656491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).