[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate

C14H15N3O5S — CID 650736

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
SMILESO=C(COC(=O)CCC(=O)Nc1nccs1)NCc1ccco1
InChIInChI=1S/C14H15N3O5S/c18-11(17-14-15-5-7-23-14)3-4-13(20)22-9-12(19)16-8-10-2-1-6-21-10/h1-2,5-7H,3-4,8-9H2,(H,16,19)(H,15,17,18)
InChIKeyXJSQOUGTTMOHOP-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.31
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate (PubChem CID 650736) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
PubChem CID650736
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
SMILESO=C(COC(=O)CCC(=O)Nc1nccs1)NCc1ccco1
InChIInChI=1S/C14H15N3O5S/c18-11(17-14-15-5-7-23-14)3-4-13(20)22-9-12(19)16-8-10-2-1-6-21-10/h1-2,5-7H,3-4,8-9H2,(H,16,19)(H,15,17,18)
InChIKeyXJSQOUGTTMOHOP-UHFFFAOYSA-N
XLogP1.31
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate (CID 650736) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is O=C(COC(=O)CCC(=O)Nc1nccs1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The InChIKey is XJSQOUGTTMOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c18-11(17-14-15-5-7-23-14)3-4-13(20)22-9-12(19)16-8-10-2-1-6-21-10/h1-2,5-7H,3-4,8-9H2,(H,16,19)(H,15,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate has a molecular weight of 337.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is sourced from PubChem (CID 650736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).