N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C14H24N4S — CID 43476286

IUPACN-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCCN(C)c1nc2sccn2c1CNCCC
InChIInChI=1S/C14H24N4S/c1-4-6-8-17(3)13-12(11-15-7-5-2)18-9-10-19-14(18)16-13/h9-10,15H,4-8,11H2,1-3H3
InChIKeyDHRULUAZVBTVDV-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.13
Rot. Bonds8

About N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43476286) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43476286
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCCN(C)c1nc2sccn2c1CNCCC
InChIInChI=1S/C14H24N4S/c1-4-6-8-17(3)13-12(11-15-7-5-2)18-9-10-19-14(18)16-13/h9-10,15H,4-8,11H2,1-3H3
InChIKeyDHRULUAZVBTVDV-UHFFFAOYSA-N
XLogP3.13
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol
CID 79390755
N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43570377
N-methyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43527744
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986374
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
N-methyl-N-pentyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 43478478
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115599064
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
5-[(tert-butylamino)methyl]-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55148570

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43476286) is N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCCCN(C)c1nc2sccn2c1CNCCC.
What is the InChIKey of N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is DHRULUAZVBTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-4-6-8-17(3)13-12(11-15-7-5-2)18-9-10-19-14(18)16-13/h9-10,15H,4-8,11H2,1-3H3.
What are the key properties of N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 280.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43476286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).