N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide

C22H21N5OS — CID 174203775

IUPACN-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESN#Cc1cccc2c1CCC2NC(=O)c1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C22H21N5OS/c23-13-15-2-1-3-17-16(15)5-7-18(17)25-21(28)14-4-6-19-20(12-14)29-22(26-19)27-10-8-24-9-11-27/h1-4,6,12,18,24H,5,7-11H2,(H,25,28)
InChIKeyLSQZEVYQNYERRH-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.99
Rot. Bonds3

About N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide

N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 174203775) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID174203775
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC NameN-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESN#Cc1cccc2c1CCC2NC(=O)c1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C22H21N5OS/c23-13-15-2-1-3-17-16(15)5-7-18(17)25-21(28)14-4-6-19-20(12-14)29-22(26-19)27-10-8-24-9-11-27/h1-4,6,12,18,24H,5,7-11H2,(H,25,28)
InChIKeyLSQZEVYQNYERRH-UHFFFAOYSA-N
XLogP2.99
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide 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

N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 171466726
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
CID 153084897
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 174201478
but-2-enedioic acid;6-chloro-2-piperazin-1-yl-1,3-benzothiazole
CID 68654648
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 59797488
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948191
6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 20886690
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide (CID 174203775) is N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide is N#Cc1cccc2c1CCC2NC(=O)c1ccc2nc(N3CCNCC3)sc2c1.
What is the InChIKey of N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is LSQZEVYQNYERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c23-13-15-2-1-3-17-16(15)5-7-18(17)25-21(28)14-4-6-19-20(12-14)29-22(26-19)27-10-8-24-9-11-27/h1-4,6,12,18,24H,5,7-11H2,(H,25,28).
What are the key properties of N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 174203775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).