[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

C20H25N3O4S — CID 8610364

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)N[C@@H](C)CC)cs2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-13(3)21-20(26)23-17(24)11-27-18(25)10-16-12-28-19(22-16)15-8-6-14(5-2)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,21,23,24,26)/t13-/m0/s1
InChIKeyRPZKNIBGVHBUOF-ZDUSSCGKSA-N
MW403.50 g/mol
LogP3.08
Rot. Bonds8

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 8610364) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID8610364
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)N[C@@H](C)CC)cs2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-13(3)21-20(26)23-17(24)11-27-18(25)10-16-12-28-19(22-16)15-8-6-14(5-2)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,21,23,24,26)/t13-/m0/s1
InChIKeyRPZKNIBGVHBUOF-ZDUSSCGKSA-N
XLogP3.08
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610291
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804977
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610010
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837965
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8626275
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610179
[2-(N-methylanilino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8609749
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 112772130
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119585465
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870397

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate (CID 8610364) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate is CCc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)N[C@@H](C)CC)cs2)cc1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is RPZKNIBGVHBUOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-13(3)21-20(26)23-17(24)11-27-18(25)10-16-12-28-19(22-16)15-8-6-14(5-2)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,21,23,24,26)/t13-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 403.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8610364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).