3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride

C17H19ClN4OS — CID 119677611

IUPAC3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1
InChIInChI=1S/C17H18N4OS.ClH/c18-13-4-1-12(9-13)16(22)19-14-5-2-11(3-6-14)15-10-21-7-8-23-17(21)20-15;/h2-3,5-8,10,12-13H,1,4,9,18H2,(H,19,22);1H
InChIKeyGLBAIEGWBSRLCU-UHFFFAOYSA-N
MW362.89 g/mol
LogP3.55
Rot. Bonds3

About 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119677611) has the molecular formula C17H19ClN4OS and a molecular weight of 362.89 g/mol. Its IUPAC name is 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119677611
Molecular FormulaC17H19ClN4OS
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC Name3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1
InChIInChI=1S/C17H18N4OS.ClH/c18-13-4-1-12(9-13)16(22)19-14-5-2-11(3-6-14)15-10-21-7-8-23-17(21)20-15;/h2-3,5-8,10,12-13H,1,4,9,18H2,(H,19,22);1H
InChIKeyGLBAIEGWBSRLCU-UHFFFAOYSA-N
XLogP3.55
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119857716
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623
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
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677624
(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride
CID 119677635
(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
CID 120783350
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
CID 112765212
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
CID 167874862
(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29441712

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119677611) is 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1.
What is the InChIKey of 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is GLBAIEGWBSRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS.ClH/c18-13-4-1-12(9-13)16(22)19-14-5-2-11(3-6-14)15-10-21-7-8-23-17(21)20-15;/h2-3,5-8,10,12-13H,1,4,9,18H2,(H,19,22);1H.
What are the key properties of 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 362.89 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119677611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).