1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

C14H21N3S2 — CID 107267026

IUPAC1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCc2c(C)nc3sc(C)cn23)CCC1
InChIInChI=1S/C14H21N3S2/c1-10-8-17-12(11(2)16-13(17)19-10)7-15-9-14(18-3)5-4-6-14/h8,15H,4-7,9H2,1-3H3
InChIKeyRIUOJJKDEUXYHX-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.39
Rot. Bonds5

About 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (PubChem CID 107267026) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
PubChem CID107267026
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCc2c(C)nc3sc(C)cn23)CCC1
InChIInChI=1S/C14H21N3S2/c1-10-8-17-12(11(2)16-13(17)19-10)7-15-9-14(18-3)5-4-6-14/h8,15H,4-7,9H2,1-3H3
InChIKeyRIUOJJKDEUXYHX-UHFFFAOYSA-N
XLogP3.39
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (CID 107267026) is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is CSC1(CNCc2c(C)nc3sc(C)cn23)CCC1.
What is the InChIKey of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The InChIKey is RIUOJJKDEUXYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-10-8-17-12(11(2)16-13(17)19-10)7-15-9-14(18-3)5-4-6-14/h8,15H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine has a molecular weight of 295.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 107267026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).