N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

C10H12N4O3S2 — CID 110852851

IUPACN-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1nc2scnn2c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H12N4O3S2/c1-6-8(14-10(12-6)18-5-11-14)9(15)13-7-2-3-19(16,17)4-7/h5,7H,2-4H2,1H3,(H,13,15)
InChIKeyNSGZDVKWRTVFEV-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.02
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (PubChem CID 110852851) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
PubChem CID110852851
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1nc2scnn2c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H12N4O3S2/c1-6-8(14-10(12-6)18-5-11-14)9(15)13-7-2-3-19(16,17)4-7/h5,7H,2-4H2,1H3,(H,13,15)
InChIKeyNSGZDVKWRTVFEV-UHFFFAOYSA-N
XLogP0.02
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide with MolForge

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
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CID 41075355
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
2-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42580894
N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679622
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
CID 65357083
N-(1,1-dioxothiolan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110852773
2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42650194
N-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691884
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(2-phenylethyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (CID 110852851) is N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is Cc1nc2scnn2c1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The InChIKey is NSGZDVKWRTVFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-6-8(14-10(12-6)18-5-11-14)9(15)13-7-2-3-19(16,17)4-7/h5,7H,2-4H2,1H3,(H,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is sourced from PubChem (CID 110852851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).