N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C10H11N3O3S2 — CID 110852841

IUPACN-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1csc2nccn12
InChIInChI=1S/C10H11N3O3S2/c14-9(12-7-1-4-18(15,16)6-7)8-5-17-10-11-2-3-13(8)10/h2-3,5,7H,1,4,6H2,(H,12,14)
InChIKeyBSTBEVUVJWQYPU-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.31
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 110852841) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID110852841
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1csc2nccn12
InChIInChI=1S/C10H11N3O3S2/c14-9(12-7-1-4-18(15,16)6-7)8-5-17-10-11-2-3-13(8)10/h2-3,5,7H,1,4,6H2,(H,12,14)
InChIKeyBSTBEVUVJWQYPU-UHFFFAOYSA-N
XLogP0.31
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110855502
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617754
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384620
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640729
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854596
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854597
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081834
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 110852841) is N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1csc2nccn12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BSTBEVUVJWQYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c14-9(12-7-1-4-18(15,16)6-7)8-5-17-10-11-2-3-13(8)10/h2-3,5,7H,1,4,6H2,(H,12,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.31, 2 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)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 110852841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).