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

C21H23ClN4O2S2 — CID 16718921

IUPAC6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(CCN1CCCCC1)=CC2)c1c(Cl)nc2sccn12
InChIInChI=1S/C21H23ClN4O2S2/c22-19-20(26-12-13-29-21(26)23-19)30(27,28)24-17-7-6-15-4-5-16(18(15)14-17)8-11-25-9-2-1-3-10-25/h5-7,12-14,24H,1-4,8-11H2
InChIKeyJBTZGFWQBCOTJY-UHFFFAOYSA-N
MW463.03 g/mol
LogP4.67
Rot. Bonds6

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

6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 16718921) has the molecular formula C21H23ClN4O2S2 and a molecular weight of 463.03 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID16718921
Molecular FormulaC21H23ClN4O2S2
Molecular Weight463.03 g/mol
Exact Mass462.10
IUPAC Name6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(CCN1CCCCC1)=CC2)c1c(Cl)nc2sccn12
InChIInChI=1S/C21H23ClN4O2S2/c22-19-20(26-12-13-29-21(26)23-19)30(27,28)24-17-7-6-15-4-5-16(18(15)14-17)8-11-25-9-2-1-3-10-25/h5-7,12-14,24H,1-4,8-11H2
InChIKeyJBTZGFWQBCOTJY-UHFFFAOYSA-N
XLogP4.67
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[3-(2-piperidin-1-ylethyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 16718921) is 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)C(CCN1CCCCC1)=CC2)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JBTZGFWQBCOTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S2/c22-19-20(26-12-13-29-21(26)23-19)30(27,28)24-17-7-6-15-4-5-16(18(15)14-17)8-11-25-9-2-1-3-10-25/h5-7,12-14,24H,1-4,8-11H2.
What are the key properties of 6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 463.03 g/mol, XLogP of 4.67, 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-piperidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 16718921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).