1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine

C12H17N3S — CID 115334382

IUPAC1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2cn3ccsc3n2)CCC1
InChIInChI=1S/C12H17N3S/c1-13-9-12(3-2-4-12)7-10-8-15-5-6-16-11(15)14-10/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyBKCOPKPMTKXLME-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine (PubChem CID 115334382) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
PubChem CID115334382
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2cn3ccsc3n2)CCC1
InChIInChI=1S/C12H17N3S/c1-13-9-12(3-2-4-12)7-10-8-15-5-6-16-11(15)14-10/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyBKCOPKPMTKXLME-UHFFFAOYSA-N
XLogP2.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 114107943
N-[[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 115334374
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 115334368
[3-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methanamine
CID 115335047
[1-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 103966368
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
CID 113289332
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
1-(1-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023641

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine (CID 115334382) is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine is CNCC1(Cc2cn3ccsc3n2)CCC1.
What is the InChIKey of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is BKCOPKPMTKXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-13-9-12(3-2-4-12)7-10-8-15-5-6-16-11(15)14-10/h5-6,8,13H,2-4,7,9H2,1H3.
What are the key properties of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine?
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 115334382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).