N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine

C13H19N3S — CID 114107943

IUPACN-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
SMILESCCC1(CNCc2cn3ccsc3n2)CCC1
InChIInChI=1S/C13H19N3S/c1-2-13(4-3-5-13)10-14-8-11-9-16-6-7-17-12(16)15-11/h6-7,9,14H,2-5,8,10H2,1H3
InChIKeyNVKZXUVSNJWHKS-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.07
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine

N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine (PubChem CID 114107943) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
PubChem CID114107943
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
SMILESCCC1(CNCc2cn3ccsc3n2)CCC1
InChIInChI=1S/C13H19N3S/c1-2-13(4-3-5-13)10-14-8-11-9-16-6-7-17-12(16)15-11/h6-7,9,14H,2-5,8,10H2,1H3
InChIKeyNVKZXUVSNJWHKS-UHFFFAOYSA-N
XLogP3.07
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 103966368
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
N-[[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 115334374
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopentyl]methanol
CID 115331615
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 115334368
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
N-[(1-ethylcyclopropyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735584

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine (CID 114107943) is N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is CCC1(CNCc2cn3ccsc3n2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The InChIKey is NVKZXUVSNJWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-2-13(4-3-5-13)10-14-8-11-9-16-6-7-17-12(16)15-11/h6-7,9,14H,2-5,8,10H2,1H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is sourced from PubChem (CID 114107943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).