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

C19H18N2O4S — CID 7813926

IUPAC[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
SMILESCCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccco2)cs1
InChIInChI=1S/C19H18N2O4S/c1-3-14-7-4-5-8-16(14)21(13(2)22)19-20-15(12-26-19)11-25-18(23)17-9-6-10-24-17/h4-10,12H,3,11H2,1-2H3
InChIKeyNPHFHUPDPAOHHB-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.34
Rot. Bonds6

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

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate (PubChem CID 7813926) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
PubChem CID7813926
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
SMILESCCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccco2)cs1
InChIInChI=1S/C19H18N2O4S/c1-3-14-7-4-5-8-16(14)21(13(2)22)19-20-15(12-26-19)11-25-18(23)17-9-6-10-24-17/h4-10,12H,3,11H2,1-2H3
InChIKeyNPHFHUPDPAOHHB-UHFFFAOYSA-N
XLogP4.34
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.34
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 2-methylfuran-3-carboxylate
CID 8969978
[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-ethylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methylbenzoate
CID 18089263
N-(2-ethylphenyl)-N-[4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78815757
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-benzylbenzoate
CID 42985028
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510636
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823033
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 7852073

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
The IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate (CID 7813926) is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
The canonical SMILES for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate is CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccco2)cs1.
What is the InChIKey of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
The InChIKey is NPHFHUPDPAOHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-14-7-4-5-8-16(14)21(13(2)22)19-20-15(12-26-19)11-25-18(23)17-9-6-10-24-17/h4-10,12H,3,11H2,1-2H3.
What are the key properties of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 4.34, 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 furan-2-carboxylate is sourced from PubChem (CID 7813926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).