1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine

C13H19N3S — CID 115333037

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1(N)Cc1cn2ccsc2n1
InChIInChI=1S/C13H19N3S/c1-12(2)4-3-5-13(12,14)8-10-9-16-6-7-17-11(16)15-10/h6-7,9H,3-5,8,14H2,1-2H3
InChIKeyAAUOLRRIJJYXGY-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.85
Rot. Bonds2

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 115333037) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID115333037
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1(N)Cc1cn2ccsc2n1
InChIInChI=1S/C13H19N3S/c1-12(2)4-3-5-13(12,14)8-10-9-16-6-7-17-11(16)15-10/h6-7,9H,3-5,8,14H2,1-2H3
InChIKeyAAUOLRRIJJYXGY-UHFFFAOYSA-N
XLogP2.85
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylcyclohexan-1-amine
CID 113289084
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-propylcycloheptan-1-amine
CID 115333031
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115333027
6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116540779
N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 114107943
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
CID 113289332

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine (CID 115333037) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1(N)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is AAUOLRRIJJYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-12(2)4-3-5-13(12,14)8-10-9-16-6-7-17-11(16)15-10/h6-7,9H,3-5,8,14H2,1-2H3.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115333037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).