ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate

C11H16N2O4S — CID 141436154

IUPACethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate
SMILESCCOC(=O)C(CC)NC(=O)c1cnc(OC)s1
InChIInChI=1S/C11H16N2O4S/c1-4-7(10(15)17-5-2)13-9(14)8-6-12-11(16-3)18-8/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeySQICSWFBCMNNGN-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.22
Rot. Bonds6

About ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate

ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate (PubChem CID 141436154) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate
PubChem CID141436154
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate
SMILESCCOC(=O)C(CC)NC(=O)c1cnc(OC)s1
InChIInChI=1S/C11H16N2O4S/c1-4-7(10(15)17-5-2)13-9(14)8-6-12-11(16-3)18-8/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeySQICSWFBCMNNGN-UHFFFAOYSA-N
XLogP1.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate?
The IUPAC name of ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate (CID 141436154) is ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate is CCOC(=O)C(CC)NC(=O)c1cnc(OC)s1.
What is the InChIKey of ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate?
The InChIKey is SQICSWFBCMNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-4-7(10(15)17-5-2)13-9(14)8-6-12-11(16-3)18-8/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate?
ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate has a molecular weight of 272.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate is sourced from PubChem (CID 141436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).