[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

C18H16N2O4S3 — CID 26968758

IUPAC[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)c2csc(-c3cccs3)n2)s1
InChIInChI=1S/C18H16N2O4S3/c1-11(21)19-7-6-12-4-5-15(27-12)14(22)9-24-18(23)13-10-26-17(20-13)16-3-2-8-25-16/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)
InChIKeyYBHWUBSSOVHTHB-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.65
Rot. Bonds8

About [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 26968758) has the molecular formula C18H16N2O4S3 and a molecular weight of 420.54 g/mol. Its IUPAC name is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID26968758
Molecular FormulaC18H16N2O4S3
Molecular Weight420.54 g/mol
Exact Mass420.03
IUPAC Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)c2csc(-c3cccs3)n2)s1
InChIInChI=1S/C18H16N2O4S3/c1-11(21)19-7-6-12-4-5-15(27-12)14(22)9-24-18(23)13-10-26-17(20-13)16-3-2-8-25-16/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)
InChIKeyYBHWUBSSOVHTHB-UHFFFAOYSA-N
XLogP3.65
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55995068
4-O-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 27352967
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-methylbenzoate
CID 27312891
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46646082
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 27312671
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46645492
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 4-(diethylamino)benzoate
CID 27313335
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135962
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 18100897
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 27591988

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 26968758) is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is CC(=O)NCCc1ccc(C(=O)COC(=O)c2csc(-c3cccs3)n2)s1.
What is the InChIKey of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is YBHWUBSSOVHTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S3/c1-11(21)19-7-6-12-4-5-15(27-12)14(22)9-24-18(23)13-10-26-17(20-13)16-3-2-8-25-16/h2-5,8,10H,6-7,9H2,1H3,(H,19,21).
What are the key properties of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 420.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 26968758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).