ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate

C14H16N2O4S — CID 23993424

IUPACethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N=Cc2ccc(COC)o2)n1
InChIInChI=1S/C14H16N2O4S/c1-3-19-13(17)6-10-9-21-14(16-10)15-7-11-4-5-12(20-11)8-18-2/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyNEWKUBNBGACZHA-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.74
Rot. Bonds7

About ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate (PubChem CID 23993424) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
PubChem CID23993424
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N=Cc2ccc(COC)o2)n1
InChIInChI=1S/C14H16N2O4S/c1-3-19-13(17)6-10-9-21-14(16-10)15-7-11-4-5-12(20-11)8-18-2/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyNEWKUBNBGACZHA-UHFFFAOYSA-N
XLogP2.74
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate (CID 23993424) is ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N=Cc2ccc(COC)o2)n1.
What is the InChIKey of ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NEWKUBNBGACZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-19-13(17)6-10-9-21-14(16-10)15-7-11-4-5-12(20-11)8-18-2/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 23993424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).