ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate

C12H13NO3S — CID 43120367

IUPACethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(C)o2)cs1
InChIInChI=1S/C12H13NO3S/c1-3-15-12(14)6-11-13-9(7-17-11)10-5-4-8(2)16-10/h4-5,7H,3,6H2,1-2H3
InChIKeyGYTIUHNDMDJGHA-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.82
Rot. Bonds4

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

ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate (PubChem CID 43120367) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
PubChem CID43120367
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Nameethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(C)o2)cs1
InChIInChI=1S/C12H13NO3S/c1-3-15-12(14)6-11-13-9(7-17-11)10-5-4-8(2)16-10/h4-5,7H,3,6H2,1-2H3
InChIKeyGYTIUHNDMDJGHA-UHFFFAOYSA-N
XLogP2.82
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate (CID 43120367) is ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(C)o2)cs1.
What is the InChIKey of ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate?
The InChIKey is GYTIUHNDMDJGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-3-15-12(14)6-11-13-9(7-17-11)10-5-4-8(2)16-10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate?
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate has a molecular weight of 251.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 43120367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).