3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine

C14H21N3OS — CID 103921091

IUPAC3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCc2cn3ccsc3n2)C1(C)C
InChIInChI=1S/C14H21N3OS/c1-4-18-12-7-11(14(12,2)3)15-8-10-9-17-5-6-19-13(17)16-10/h5-6,9,11-12,15H,4,7-8H2,1-3H3
InChIKeyBDGGXTHMIUBANM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.69
Rot. Bonds5

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

3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 103921091) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID103921091
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCc2cn3ccsc3n2)C1(C)C
InChIInChI=1S/C14H21N3OS/c1-4-18-12-7-11(14(12,2)3)15-8-10-9-17-5-6-19-13(17)16-10/h5-6,9,11-12,15H,4,7-8H2,1-3H3
InChIKeyBDGGXTHMIUBANM-UHFFFAOYSA-N
XLogP2.69
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
CID 111959393
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115331691
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione
CID 115331702
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 114107943
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115331744
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962171

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine (CID 103921091) is 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCc2cn3ccsc3n2)C1(C)C.
What is the InChIKey of 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is BDGGXTHMIUBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-18-12-7-11(14(12,2)3)15-8-10-9-17-5-6-19-13(17)16-10/h5-6,9,11-12,15H,4,7-8H2,1-3H3.
What are the key properties of 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103921091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).