1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine

C13H13N3O2S3 — CID 80733483

IUPAC1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
SMILESNc1cc(-c2cc3sccc3s2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C13H13N3O2S3/c14-13-5-9(11-6-12-10(20-11)1-3-19-12)15-16(13)8-2-4-21(17,18)7-8/h1,3,5-6,8H,2,4,7,14H2
InChIKeyKRHGFHMHLVPXIG-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.77
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine

1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine (PubChem CID 80733483) has the molecular formula C13H13N3O2S3 and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
PubChem CID80733483
Molecular FormulaC13H13N3O2S3
Molecular Weight339.47 g/mol
Exact Mass339.02
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
SMILESNc1cc(-c2cc3sccc3s2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C13H13N3O2S3/c14-13-5-9(11-6-12-10(20-11)1-3-19-12)15-16(13)8-2-4-21(17,18)7-8/h1,3,5-6,8H,2,4,7,14H2
InChIKeyKRHGFHMHLVPXIG-UHFFFAOYSA-N
XLogP2.77
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine with MolForge

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118750
3-(2,5-dibromothiophen-3-yl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 107962643
1-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2-pyridinyl)pyrazol-5-amine
CID 104638663
3-(2,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-amine
CID 93296243
5-[5-amino-1-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1H-pyridin-2-one
CID 136710584
3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43159055
3-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 106861410
1-cyclopentyl-3-thiophen-2-ylpyrazol-5-amine
CID 61272800
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
1-(1,1-dioxothiolan-3-yl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62906041
1-(1,1-dioxothiolan-3-yl)-3-(3-ethyl-1-methylpyrazol-4-yl)pyrazol-5-amine
CID 102810616
3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43336856

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine (CID 80733483) is 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine is Nc1cc(-c2cc3sccc3s2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The InChIKey is KRHGFHMHLVPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S3/c14-13-5-9(11-6-12-10(20-11)1-3-19-12)15-16(13)8-2-4-21(17,18)7-8/h1,3,5-6,8H,2,4,7,14H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine has a molecular weight of 339.47 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine is sourced from PubChem (CID 80733483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).