N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C13H14N2O3S3 — CID 46558909

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H14N2O3S3/c16-12(14-10-2-4-21(17,18)8-10)5-11-7-20-13(15-11)9-1-3-19-6-9/h1,3,6-7,10H,2,4-5,8H2,(H,14,16)
InChIKeyMVAJZGYRECSEKN-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.72
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46558909) has the molecular formula C13H14N2O3S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46558909
Molecular FormulaC13H14N2O3S3
Molecular Weight342.47 g/mol
Exact Mass342.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H14N2O3S3/c16-12(14-10-2-4-21(17,18)8-10)5-11-7-20-13(15-11)9-1-3-19-6-9/h1,3,6-7,10H,2,4-5,8H2,(H,14,16)
InChIKeyMVAJZGYRECSEKN-UHFFFAOYSA-N
XLogP1.72
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815676
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51929410
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 96564072
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-thiophen-3-ylpyrazol-1-yl)acetamide
CID 95153748
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55950008
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 17444952
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 46558909) is N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MVAJZGYRECSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S3/c16-12(14-10-2-4-21(17,18)8-10)5-11-7-20-13(15-11)9-1-3-19-6-9/h1,3,6-7,10H,2,4-5,8H2,(H,14,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 342.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46558909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).