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

C8H13Cl2N3S — CID 50988377

IUPACN-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride
SMILESCNCc1c(C)nc2sccn12.Cl.Cl
InChIInChI=1S/C8H11N3S.2ClH/c1-6-7(5-9-2)11-3-4-12-8(11)10-6;;/h3-4,9H,5H2,1-2H3;2*1H
InChIKeyNSUOGXODVZIXJM-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.27
Rot. Bonds2

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

N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride (PubChem CID 50988377) has the molecular formula C8H13Cl2N3S and a molecular weight of 254.19 g/mol. Its IUPAC name is N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride
PubChem CID50988377
Molecular FormulaC8H13Cl2N3S
Molecular Weight254.19 g/mol
Exact Mass253.02
IUPAC NameN-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride
SMILESCNCc1c(C)nc2sccn12.Cl.Cl
InChIInChI=1S/C8H11N3S.2ClH/c1-6-7(5-9-2)11-3-4-12-8(11)10-6;;/h3-4,9H,5H2,1-2H3;2*1H
InChIKeyNSUOGXODVZIXJM-UHFFFAOYSA-N
XLogP2.27
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride (CID 50988377) is N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride is CNCc1c(C)nc2sccn12.Cl.Cl.
What is the InChIKey of N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride?
The InChIKey is NSUOGXODVZIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S.2ClH/c1-6-7(5-9-2)11-3-4-12-8(11)10-6;;/h3-4,9H,5H2,1-2H3;2*1H.
What are the key properties of N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride?
N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride has a molecular weight of 254.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 50988377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).