[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate

C19H18N2O3S2 — CID 42900839

IUPAC[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
SMILESCCc1ccc(-c2csc(NC(=O)C(C)OC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-3-13-6-8-14(9-7-13)15-11-26-19(20-15)21-17(22)12(2)24-18(23)16-5-4-10-25-16/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyYSLMMZXIJXFMKH-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.62
Rot. Bonds6

About [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate

[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate (PubChem CID 42900839) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
PubChem CID42900839
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
SMILESCCc1ccc(-c2csc(NC(=O)C(C)OC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-3-13-6-8-14(9-7-13)15-11-26-19(20-15)21-17(22)12(2)24-18(23)16-5-4-10-25-16/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyYSLMMZXIJXFMKH-UHFFFAOYSA-N
XLogP4.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 7759920
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015338
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015337
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-oxopentanoate
CID 8613361
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7702263
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535258
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717492
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate
CID 7751503
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-methylthiophene-2-carboxylate
CID 3668963
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98419725
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23803090

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate (CID 42900839) is [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate is CCc1ccc(-c2csc(NC(=O)C(C)OC(=O)c3cccs3)n2)cc1.
What is the InChIKey of [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate?
The InChIKey is YSLMMZXIJXFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-13-6-8-14(9-7-13)15-11-26-19(20-15)21-17(22)12(2)24-18(23)16-5-4-10-25-16/h4-12H,3H2,1-2H3,(H,20,21,22).
What are the key properties of [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate?
[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 42900839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).