6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C20H23ClN4O2S2 — CID 16718872

IUPAC6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCC1=CC(C)(C)c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
InChIInChI=1S/C20H23ClN4O2S2/c1-20(2)12-13(7-8-24(3)4)15-11-14(5-6-16(15)20)23-29(26,27)18-17(21)22-19-25(18)9-10-28-19/h5-6,9-12,23H,7-8H2,1-4H3
InChIKeyMSPPUSLIWYQHCW-UHFFFAOYSA-N
MW451.02 g/mol
LogP4.48
Rot. Bonds6

About 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 16718872) has the molecular formula C20H23ClN4O2S2 and a molecular weight of 451.02 g/mol. Its IUPAC name is 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID16718872
Molecular FormulaC20H23ClN4O2S2
Molecular Weight451.02 g/mol
Exact Mass450.10
IUPAC Name6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCC1=CC(C)(C)c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
InChIInChI=1S/C20H23ClN4O2S2/c1-20(2)12-13(7-8-24(3)4)15-11-14(5-6-16(15)20)23-29(26,27)18-17(21)22-19-25(18)9-10-28-19/h5-6,9-12,23H,7-8H2,1-4H3
InChIKeyMSPPUSLIWYQHCW-UHFFFAOYSA-N
XLogP4.48
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.02
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 16718872) is 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(C)CCC1=CC(C)(C)c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21.
What is the InChIKey of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MSPPUSLIWYQHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S2/c1-20(2)12-13(7-8-24(3)4)15-11-14(5-6-16(15)20)23-29(26,27)18-17(21)22-19-25(18)9-10-28-19/h5-6,9-12,23H,7-8H2,1-4H3.
What are the key properties of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 451.02 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 16718872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).