[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate

C17H20N2O3S — CID 4763536

IUPAC[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate
SMILESCCc1ccc(/N=c2\sc(CC)c(OC(C)=O)n2C(C)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-5-13-7-9-14(10-8-13)18-17-19(11(3)20)16(22-12(4)21)15(6-2)23-17/h7-10H,5-6H2,1-4H3/b18-17-
InChIKeyULRMAWOZWRPOCZ-ZCXUNETKSA-N
MW332.43 g/mol
LogP3.49
Rot. Bonds4

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

[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate (PubChem CID 4763536) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate
PubChem CID4763536
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate
SMILESCCc1ccc(/N=c2\sc(CC)c(OC(C)=O)n2C(C)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-5-13-7-9-14(10-8-13)18-17-19(11(3)20)16(22-12(4)21)15(6-2)23-17/h7-10H,5-6H2,1-4H3/b18-17-
InChIKeyULRMAWOZWRPOCZ-ZCXUNETKSA-N
XLogP3.49
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate?
The IUPAC name of [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate (CID 4763536) is [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate is CCc1ccc(/N=c2\sc(CC)c(OC(C)=O)n2C(C)=O)cc1.
What is the InChIKey of [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate?
The InChIKey is ULRMAWOZWRPOCZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-5-13-7-9-14(10-8-13)18-17-19(11(3)20)16(22-12(4)21)15(6-2)23-17/h7-10H,5-6H2,1-4H3/b18-17-.
What are the key properties of [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate?
[3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate has a molecular weight of 332.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-5-ethyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 4763536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).