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

C18H16N4OS — CID 29240895

IUPAC1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCCC1
InChIInChI=1S/C18H16N4OS/c19-12-18(7-1-2-8-18)16(23)20-14-5-3-13(4-6-14)15-11-22-9-10-24-17(22)21-15/h3-6,9-11H,1-2,7-8H2,(H,20,23)
InChIKeyJAPCMWBYFRKSIC-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.09
Rot. Bonds3

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

1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide (PubChem CID 29240895) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide
PubChem CID29240895
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCCC1
InChIInChI=1S/C18H16N4OS/c19-12-18(7-1-2-8-18)16(23)20-14-5-3-13(4-6-14)15-11-22-9-10-24-17(22)21-15/h3-6,9-11H,1-2,7-8H2,(H,20,23)
InChIKeyJAPCMWBYFRKSIC-UHFFFAOYSA-N
XLogP4.09
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
3-(4-cyanophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 37039350
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
(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
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936531
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide (CID 29240895) is 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCCC1.
What is the InChIKey of 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide?
The InChIKey is JAPCMWBYFRKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c19-12-18(7-1-2-8-18)16(23)20-14-5-3-13(4-6-14)15-11-22-9-10-24-17(22)21-15/h3-6,9-11H,1-2,7-8H2,(H,20,23).
What are the key properties of 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide?
1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 29240895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).