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

C14H23N3S — CID 43769657

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C14H23N3S/c1-4-5-6-7-8-15-9-13-12(3)16-14-17(13)11(2)10-18-14/h10,15H,4-9H2,1-3H3
InChIKeyNFXALMWLHRHCDJ-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.68
Rot. Bonds7

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine (PubChem CID 43769657) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
PubChem CID43769657
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C14H23N3S/c1-4-5-6-7-8-15-9-13-12(3)16-14-17(13)11(2)10-18-14/h10,15H,4-9H2,1-3H3
InChIKeyNFXALMWLHRHCDJ-UHFFFAOYSA-N
XLogP3.68
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770874
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
CID 43791067
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
3-(cyclopropylmethoxy)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770760
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43625829

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine (CID 43769657) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine is CCCCCCNCc1c(C)nc2scc(C)n12.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine?
The InChIKey is NFXALMWLHRHCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-5-6-7-8-15-9-13-12(3)16-14-17(13)11(2)10-18-14/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine is sourced from PubChem (CID 43769657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).