6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C21H23ClN4O2S2 — CID 16718919

IUPAC6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1=C(C2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
InChIInChI=1S/C21H23ClN4O2S2/c1-13-10-14-5-6-16(11-17(14)18(13)15-4-3-7-25(2)12-15)24-30(27,28)20-19(22)23-21-26(20)8-9-29-21/h5-6,8-9,11,15,24H,3-4,7,10,12H2,1-2H3
InChIKeyQIPQTFPYMICAEG-UHFFFAOYSA-N
MW463.03 g/mol
LogP4.52
Rot. Bonds4

About 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 16718919) has the molecular formula C21H23ClN4O2S2 and a molecular weight of 463.03 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID16718919
Molecular FormulaC21H23ClN4O2S2
Molecular Weight463.03 g/mol
Exact Mass462.10
IUPAC Name6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1=C(C2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
InChIInChI=1S/C21H23ClN4O2S2/c1-13-10-14-5-6-16(11-17(14)18(13)15-4-3-7-25(2)12-15)24-30(27,28)20-19(22)23-21-26(20)8-9-29-21/h5-6,8-9,11,15,24H,3-4,7,10,12H2,1-2H3
InChIKeyQIPQTFPYMICAEG-UHFFFAOYSA-N
XLogP4.52
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indenylsulfonamide, 14
CID 16112801
Indenylsulfonamide, 15
CID 16718920
Indenylsulfonamide, 28
CID 16718922
Indenylsulfonamide, 51
CID 44263496
6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1-(3-piperidin-1-yl-propyl)-1H-indol-5-yl]-amide
CID 11408954
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
2-[(E)-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-3,3-dimethyl-2H-inden-1-ylidene]amino]guanidine;hydrochloride
CID 44474624
2-[(E)-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
CID 44474630
2-[(E)-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
CID 44474796
6-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazono)-2,3-dihydro-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 45483622
Indenylsulfonamide, 47+48
CID 44263494

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 16718919) is 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC1=C(C2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1.
What is the InChIKey of 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is QIPQTFPYMICAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S2/c1-13-10-14-5-6-16(11-17(14)18(13)15-4-3-7-25(2)12-15)24-30(27,28)20-19(22)23-21-26(20)8-9-29-21/h5-6,8-9,11,15,24H,3-4,7,10,12H2,1-2H3.
What are the key properties of 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 463.03 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methyl-3-(1-methylpiperidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 16718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).