[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C17H19N3O4S2 — CID 8505297

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccs2)n1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H19N3O4S2/c21-14(20-17(23)19-11-4-1-2-5-11)9-24-15(22)8-12-10-26-16(18-12)13-6-3-7-25-13/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,19,20,21,23)
InChIKeyNMGHDMTXGDUFAT-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.73
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8505297) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID8505297
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccs2)n1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H19N3O4S2/c21-14(20-17(23)19-11-4-1-2-5-11)9-24-15(22)8-12-10-26-16(18-12)13-6-3-7-25-13/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,19,20,21,23)
InChIKeyNMGHDMTXGDUFAT-UHFFFAOYSA-N
XLogP2.73
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27775127
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505093
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826649
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774898
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
(4-cyanophenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774879

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 8505297) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(COC(=O)Cc1csc(-c2cccs2)n1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is NMGHDMTXGDUFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c21-14(20-17(23)19-11-4-1-2-5-11)9-24-15(22)8-12-10-26-16(18-12)13-6-3-7-25-13/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,19,20,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 393.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8505297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).