2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate

C18H17NO4S — CID 166360111

IUPAC2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)OCCc3cncs3)c(C)o2)c1
InChIInChI=1S/C18H17NO4S/c1-12-16(18(20)22-7-6-15-10-19-11-24-15)9-17(23-12)13-4-3-5-14(8-13)21-2/h3-5,8-11H,6-7H2,1-2H3
InChIKeyJKDAZCOTFUVKBE-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.12
Rot. Bonds6

About 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate

2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate (PubChem CID 166360111) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate
PubChem CID166360111
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)OCCc3cncs3)c(C)o2)c1
InChIInChI=1S/C18H17NO4S/c1-12-16(18(20)22-7-6-15-10-19-11-24-15)9-17(23-12)13-4-3-5-14(8-13)21-2/h3-5,8-11H,6-7H2,1-2H3
InChIKeyJKDAZCOTFUVKBE-UHFFFAOYSA-N
XLogP4.12
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-thiazol-5-ylmethyl 2-amino-5-methoxybenzoate
CID 112643715
2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
CID 146132900
(6-methoxy-6-oxohexyl) 2-methyl-5-phenylfuran-3-carboxylate
CID 45257319
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
5-(3-methoxyphenyl)-2,3-dimethylfuran
CID 70996763
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
tert-butyl 3-[3-methoxy-N-(1,3-thiazol-5-ylmethyl)anilino]benzoate
CID 141121078
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
CID 78960520

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate?
The IUPAC name of 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate (CID 166360111) is 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate is COc1cccc(-c2cc(C(=O)OCCc3cncs3)c(C)o2)c1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate?
The InChIKey is JKDAZCOTFUVKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-12-16(18(20)22-7-6-15-10-19-11-24-15)9-17(23-12)13-4-3-5-14(8-13)21-2/h3-5,8-11H,6-7H2,1-2H3.
What are the key properties of 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate?
2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 166360111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).