[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

C20H20N2O3S2 — CID 7651285

IUPAC[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1C
InChIInChI=1S/C20H20N2O3S2/c1-4-16-13(3)9-17(27-16)19(24)25-10-18(23)22-20-21-15(11-26-20)14-7-5-12(2)6-8-14/h5-9,11H,4,10H2,1-3H3,(H,21,22,23)
InChIKeyVOWJJBYVISKDLI-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.85
Rot. Bonds6

About [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 7651285) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID7651285
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1C
InChIInChI=1S/C20H20N2O3S2/c1-4-16-13(3)9-17(27-16)19(24)25-10-18(23)22-20-21-15(11-26-20)14-7-5-12(2)6-8-14/h5-9,11H,4,10H2,1-3H3,(H,21,22,23)
InChIKeyVOWJJBYVISKDLI-UHFFFAOYSA-N
XLogP4.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate with MolForge

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Related Compounds

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418699
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238405
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504627
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 18156739
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284492
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 16543581
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146490
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967461
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848069

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate (CID 7651285) is [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate is CCc1sc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1C.
What is the InChIKey of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is VOWJJBYVISKDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-4-16-13(3)9-17(27-16)19(24)25-10-18(23)22-20-21-15(11-26-20)14-7-5-12(2)6-8-14/h5-9,11H,4,10H2,1-3H3,(H,21,22,23).
What are the key properties of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 400.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 7651285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).