2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine

C15H16N4O2S3 — CID 11361000

IUPAC2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2cnc3sccn23)c2sccc12
InChIInChI=1S/C15H16N4O2S3/c1-17(2)5-3-11-10-19(14-12(11)4-7-22-14)24(20,21)13-9-16-15-18(13)6-8-23-15/h4,6-10H,3,5H2,1-2H3
InChIKeyFFDDSUMYRSSVIG-UHFFFAOYSA-N
MW380.52 g/mol
LogP2.75
Rot. Bonds5

About 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine

2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine (PubChem CID 11361000) has the molecular formula C15H16N4O2S3 and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine
PubChem CID11361000
Molecular FormulaC15H16N4O2S3
Molecular Weight380.52 g/mol
Exact Mass380.04
IUPAC Name2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2cnc3sccn23)c2sccc12
InChIInChI=1S/C15H16N4O2S3/c1-17(2)5-3-11-10-19(14-12(11)4-7-22-14)24(20,21)13-9-16-15-18(13)6-8-23-15/h4,6-10H,3,5H2,1-2H3
InChIKeyFFDDSUMYRSSVIG-UHFFFAOYSA-N
XLogP2.75
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine (CID 11361000) is 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine is CN(C)CCc1cn(S(=O)(=O)c2cnc3sccn23)c2sccc12.
What is the InChIKey of 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine?
The InChIKey is FFDDSUMYRSSVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S3/c1-17(2)5-3-11-10-19(14-12(11)4-7-22-14)24(20,21)13-9-16-15-18(13)6-8-23-15/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine?
2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine has a molecular weight of 380.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazo[2,1-b][1,3]thiazol-5-ylsulfonylthieno[2,3-b]pyrrol-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 11361000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).