(E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid

C11H14N2O5S — CID 114032024

IUPAC(E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid
SMILESCOCCOCC(=O)Nc1ncc(/C=C/C(=O)O)s1
InChIInChI=1S/C11H14N2O5S/c1-17-4-5-18-7-9(14)13-11-12-6-8(19-11)2-3-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,12,13,14)/b3-2+
InChIKeyWUXCURMTWPLMEJ-NSCUHMNNSA-N
MW286.31 g/mol
LogP0.84
Rot. Bonds8

About (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid

(E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid (PubChem CID 114032024) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid
PubChem CID114032024
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name(E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid
SMILESCOCCOCC(=O)Nc1ncc(/C=C/C(=O)O)s1
InChIInChI=1S/C11H14N2O5S/c1-17-4-5-18-7-9(14)13-11-12-6-8(19-11)2-3-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,12,13,14)/b3-2+
InChIKeyWUXCURMTWPLMEJ-NSCUHMNNSA-N
XLogP0.84
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 112603830
3-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907671
(E)-3-[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82239051
3-[2-(3-methylsulfanylpropanoylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 77021775
3-[2-[[2-(2-methylphenyl)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907831
3-[2-(propan-2-ylcarbamoylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971183
3-[2-(cyclopentanecarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971231
3-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907447
(E)-3-[2-(butylcarbamoylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 94230878
3-[2-(2-ethoxyethylsulfonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76988878
3-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907794
3-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 79155683

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid (CID 114032024) is (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid is COCCOCC(=O)Nc1ncc(/C=C/C(=O)O)s1.
What is the InChIKey of (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
The InChIKey is WUXCURMTWPLMEJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-17-4-5-18-7-9(14)13-11-12-6-8(19-11)2-3-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,12,13,14)/b3-2+.
What are the key properties of (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
(E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid is sourced from PubChem (CID 114032024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).