[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate

C20H20N2O4S — CID 8969978

IUPAC[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
SMILESCCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccoc2C)cs1
InChIInChI=1S/C20H20N2O4S/c1-4-15-7-5-6-8-18(15)22(14(3)23)20-21-16(12-27-20)11-26-19(24)17-9-10-25-13(17)2/h5-10,12H,4,11H2,1-3H3
InChIKeyGMTRJDDUTVSGON-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.65
Rot. Bonds6

About [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate (PubChem CID 8969978) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
PubChem CID8969978
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
SMILESCCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccoc2C)cs1
InChIInChI=1S/C20H20N2O4S/c1-4-15-7-5-6-8-18(15)22(14(3)23)20-21-16(12-27-20)11-26-19(24)17-9-10-25-13(17)2/h5-10,12H,4,11H2,1-3H3
InChIKeyGMTRJDDUTVSGON-UHFFFAOYSA-N
XLogP4.65
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7813926
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methylbenzoate
CID 18089263
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523844
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
CID 7969107
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
CID 16527883
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-benzylbenzoate
CID 42985028
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-3-methylbenzoate
CID 55562461
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 46822706
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
CID 7797536
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510636
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548719
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932792

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate (CID 8969978) is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate is CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccoc2C)cs1.
What is the InChIKey of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate?
The InChIKey is GMTRJDDUTVSGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-4-15-7-5-6-8-18(15)22(14(3)23)20-21-16(12-27-20)11-26-19(24)17-9-10-25-13(17)2/h5-10,12H,4,11H2,1-3H3.
What are the key properties of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate?
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8969978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).