N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C20H23ClN4OS — CID 119264905

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CC2CCCCC2N1
InChIInChI=1S/C20H22N4OS.ClH/c25-19(17-11-14-3-1-2-4-16(14)22-17)21-15-7-5-13(6-8-15)18-12-24-9-10-26-20(24)23-18;/h5-10,12,14,16-17,22H,1-4,11H2,(H,21,25);1H
InChIKeyNVZMQYBTFWNJEA-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.34
Rot. Bonds3

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119264905) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119264905
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CC2CCCCC2N1
InChIInChI=1S/C20H22N4OS.ClH/c25-19(17-11-14-3-1-2-4-16(14)22-17)21-15-7-5-13(6-8-15)18-12-24-9-10-26-20(24)23-18;/h5-10,12,14,16-17,22H,1-4,11H2,(H,21,25);1H
InChIKeyNVZMQYBTFWNJEA-UHFFFAOYSA-N
XLogP4.34
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623
(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677624
3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119677611
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride
CID 119677635
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
CID 112765212
1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
CID 167874862
N-[4-(azepane-1-carbonylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119310674
(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
CID 120783350
N-[4-(phenylcarbamoylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277181
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide
CID 41042075
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119862123

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119264905) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CC2CCCCC2N1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is NVZMQYBTFWNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.ClH/c25-19(17-11-14-3-1-2-4-16(14)22-17)21-15-7-5-13(6-8-15)18-12-24-9-10-26-20(24)23-18;/h5-10,12,14,16-17,22H,1-4,11H2,(H,21,25);1H.
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119264905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).