[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate

C19H23N3O4S — CID 8870397

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCc1cccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)cs2)c1
InChIInChI=1S/C19H23N3O4S/c1-12-6-5-7-13(8-12)17-20-14(11-27-17)9-16(24)26-10-15(23)21-18(25)22-19(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,21,22,23,25)
InChIKeyPNPPAPRXZROGSP-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.83
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 8870397) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID8870397
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCc1cccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)cs2)c1
InChIInChI=1S/C19H23N3O4S/c1-12-6-5-7-13(8-12)17-20-14(11-27-17)9-16(24)26-10-15(23)21-18(25)22-19(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,21,22,23,25)
InChIKeyPNPPAPRXZROGSP-UHFFFAOYSA-N
XLogP2.83
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8540264
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870071
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870824
[(E)-but-2-enyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78831556
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119600151
2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
CID 110450278
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate (CID 8870397) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate is Cc1cccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)cs2)c1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is PNPPAPRXZROGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12-6-5-7-13(8-12)17-20-14(11-27-17)9-16(24)26-10-15(23)21-18(25)22-19(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,21,22,23,25).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 389.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8870397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).