ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate

C11H11NO3S — CID 62633596

IUPACethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccco2)c(C)s1
InChIInChI=1S/C11H11NO3S/c1-3-14-11(13)10-12-9(7(2)16-10)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyXTCBCYBVOHZLGB-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.89
Rot. Bonds3

About ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate

ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate (PubChem CID 62633596) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
PubChem CID62633596
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Nameethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccco2)c(C)s1
InChIInChI=1S/C11H11NO3S/c1-3-14-11(13)10-12-9(7(2)16-10)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyXTCBCYBVOHZLGB-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]methanamine
CID 62633586
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116533782
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
CID 15691762
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
ethyl 4-formyl-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 146364875
1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
CID 86060932

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate (CID 62633596) is ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccco2)c(C)s1.
What is the InChIKey of ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is XTCBCYBVOHZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-3-14-11(13)10-12-9(7(2)16-10)8-5-4-6-15-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate?
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 62633596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).