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

C13H19N3S — CID 103735955

IUPACN-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
SMILESCc1nc2sccn2c1CNCC1(C)CCC1
InChIInChI=1S/C13H19N3S/c1-10-11(16-6-7-17-12(16)15-10)8-14-9-13(2)4-3-5-13/h6-7,14H,3-5,8-9H2,1-2H3
InChIKeyGWRJJODJFPRPGV-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.98
Rot. Bonds4

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

N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine (PubChem CID 103735955) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
PubChem CID103735955
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
SMILESCc1nc2sccn2c1CNCC1(C)CCC1
InChIInChI=1S/C13H19N3S/c1-10-11(16-6-7-17-12(16)15-10)8-14-9-13(2)4-3-5-13/h6-7,14H,3-5,8-9H2,1-2H3
InChIKeyGWRJJODJFPRPGV-UHFFFAOYSA-N
XLogP2.98
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743491
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103992085
1-[[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 63221875
N-[(1-ethylcyclopropyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735584
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820529
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
N-[(1-methylcyclohexyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103753056
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine (CID 103735955) is N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine is Cc1nc2sccn2c1CNCC1(C)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
The InChIKey is GWRJJODJFPRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10-11(16-6-7-17-12(16)15-10)8-14-9-13(2)4-3-5-13/h6-7,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine has a molecular weight of 249.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine is sourced from PubChem (CID 103735955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).