ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate

C18H17NO4S — CID 146019199

IUPACethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(COCc3ccccc3)o2)n1
InChIInChI=1S/C18H17NO4S/c1-2-22-18(20)15-12-24-17(19-15)16-9-8-14(23-16)11-21-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyJNDQOQLCRRSGQP-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.30
Rot. Bonds7

About ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 146019199) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID146019199
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Nameethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(COCc3ccccc3)o2)n1
InChIInChI=1S/C18H17NO4S/c1-2-22-18(20)15-12-24-17(19-15)16-9-8-14(23-16)11-21-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyJNDQOQLCRRSGQP-UHFFFAOYSA-N
XLogP4.30
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate (CID 146019199) is ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(COCc3ccccc3)o2)n1.
What is the InChIKey of ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is JNDQOQLCRRSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-2-22-18(20)15-12-24-17(19-15)16-9-8-14(23-16)11-21-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 146019199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).