N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H12ClN3O2S2 — CID 60814468

IUPACN-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C13H12ClN3O2S2/c1-16(9-10-5-3-2-4-6-10)21(18,19)12-11(14)15-13-17(12)7-8-20-13/h2-8H,9H2,1H3
InChIKeyHVPMVXKXKGIKBW-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.87
Rot. Bonds4

About N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60814468) has the molecular formula C13H12ClN3O2S2 and a molecular weight of 341.85 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60814468
Molecular FormulaC13H12ClN3O2S2
Molecular Weight341.85 g/mol
Exact Mass341.01
IUPAC NameN-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C13H12ClN3O2S2/c1-16(9-10-5-3-2-4-6-10)21(18,19)12-11(14)15-13-17(12)7-8-20-13/h2-8H,9H2,1H3
InChIKeyHVPMVXKXKGIKBW-UHFFFAOYSA-N
XLogP2.87
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Indenylsulfonamide, 14
CID 16112801
Indenylsulfonamide, 15
CID 16718920
Indenylsulfonamide, 30
CID 16718919
Indenylsulfonamide, 28
CID 16718922
Indenylsulfonamide, 51
CID 44263496
6-Chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 16718822
6-Chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 16718921
Indenylsulfonamide, 47+48
CID 44263494
6-chloro-N-[3-[2-(dimethylamino)ethyl]-1,1-dimethylinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 16718872
Indenylsulfonamide, 49+50
CID 44263495
N-({imidazo[2,1-b][1,3]thiazol-6-yl}methyl)-3-methylbenzene-1-sulfonamide
CID 23603671
N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 10049399

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60814468) is N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HVPMVXKXKGIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S2/c1-16(9-10-5-3-2-4-6-10)21(18,19)12-11(14)15-13-17(12)7-8-20-13/h2-8H,9H2,1H3.
What are the key properties of N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 341.85 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60814468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).