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

C25H29N3OS — CID 164875200

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide
SMILESCCN1CCC(c2nc3c(C)cc(C(=O)NC4CCc5ccccc54)cc3s2)CC1
InChIInChI=1S/C25H29N3OS/c1-3-28-12-10-18(11-13-28)25-27-23-16(2)14-19(15-22(23)30-25)24(29)26-21-9-8-17-6-4-5-7-20(17)21/h4-7,14-15,18,21H,3,8-13H2,1-2H3,(H,26,29)
InChIKeyGMNUISPZPPQWEX-UHFFFAOYSA-N
MW419.59 g/mol
LogP5.22
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 164875200) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID164875200
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide
SMILESCCN1CCC(c2nc3c(C)cc(C(=O)NC4CCc5ccccc54)cc3s2)CC1
InChIInChI=1S/C25H29N3OS/c1-3-28-12-10-18(11-13-28)25-27-23-16(2)14-19(15-22(23)30-25)24(29)26-21-9-8-17-6-4-5-7-20(17)21/h4-7,14-15,18,21H,3,8-13H2,1-2H3,(H,26,29)
InChIKeyGMNUISPZPPQWEX-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-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

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 164874884
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874859
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 51117969
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
ethyl 1-[4-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate
CID 46082552
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52538357
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide (CID 164875200) is N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide is CCN1CCC(c2nc3c(C)cc(C(=O)NC4CCc5ccccc54)cc3s2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is GMNUISPZPPQWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-3-28-12-10-18(11-13-28)25-27-23-16(2)14-19(15-22(23)30-25)24(29)26-21-9-8-17-6-4-5-7-20(17)21/h4-7,14-15,18,21H,3,8-13H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(1-ethylpiperidin-4-yl)-4-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 164875200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).