[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C14H15N3O4S2 — CID 18122778

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H15N3O4S2/c1-2-4-15-14(20)17-11(18)6-21-13(19)10-8-23-12(16-10)9-3-5-22-7-9/h3,5,7-8H,2,4,6H2,1H3,(H2,15,17,18,20)
InChIKeyOERNBVBWRHJDMF-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.26
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 18122778) has the molecular formula C14H15N3O4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID18122778
Molecular FormulaC14H15N3O4S2
Molecular Weight353.43 g/mol
Exact Mass353.05
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H15N3O4S2/c1-2-4-15-14(20)17-11(18)6-21-13(19)10-8-23-12(16-10)9-3-5-22-7-9/h3,5,7-8H,2,4,6H2,1H3,(H2,15,17,18,20)
InChIKeyOERNBVBWRHJDMF-UHFFFAOYSA-N
XLogP2.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824438
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824461
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736656
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838112
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135962

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 18122778) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is OERNBVBWRHJDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S2/c1-2-4-15-14(20)17-11(18)6-21-13(19)10-8-23-12(16-10)9-3-5-22-7-9/h3,5,7-8H,2,4,6H2,1H3,(H2,15,17,18,20).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 353.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 18122778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).