2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C11H9NO3S2 — CID 55426094

IUPAC2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCC(=O)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H9NO3S2/c1-7(13)4-15-11(14)9-6-17-10(12-9)8-2-3-16-5-8/h2-3,5-6H,4H2,1H3
InChIKeyUGUOSYPXQDZUES-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.62
Rot. Bonds4

About 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 55426094) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID55426094
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCC(=O)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H9NO3S2/c1-7(13)4-15-11(14)9-6-17-10(12-9)8-2-3-16-5-8/h2-3,5-6H,4H2,1H3
InChIKeyUGUOSYPXQDZUES-UHFFFAOYSA-N
XLogP2.62
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122778
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544769
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544768
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 17469662
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 55426094) is 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is CC(=O)COC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is UGUOSYPXQDZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-7(13)4-15-11(14)9-6-17-10(12-9)8-2-3-16-5-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55426094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).