[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate

C20H24N2O3S — CID 7717492

IUPAC[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-14-8-10-15(11-9-14)17-12-26-20(21-17)22-18(23)13(2)25-19(24)16-6-4-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,21,22,23)/t13-/m1/s1
InChIKeyVGHWDDBONHLKKE-CYBMUJFWSA-N
MW372.49 g/mol
LogP4.43
Rot. Bonds6

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

[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 7717492) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID7717492
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-14-8-10-15(11-9-14)17-12-26-20(21-17)22-18(23)13(2)25-19(24)16-6-4-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,21,22,23)/t13-/m1/s1
InChIKeyVGHWDDBONHLKKE-CYBMUJFWSA-N
XLogP4.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate with MolForge

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Related Compounds

[(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
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate
CID 7751503
[(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
[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 42900839
[(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] 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
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41153023
1-butanoyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 60546506

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 7717492) is [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate is CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)C3CCCC3)n2)cc1.
What is the InChIKey of [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is VGHWDDBONHLKKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-14-8-10-15(11-9-14)17-12-26-20(21-17)22-18(23)13(2)25-19(24)16-6-4-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,21,22,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate?
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 372.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 7717492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).