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

C11H16ClN3S — CID 115599064

IUPACN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3S/c1-2-3-4-5-13-8-9-10(12)14-11-15(9)6-7-16-11/h6-7,13H,2-5,8H2,1H3
InChIKeyCTSXBHCILVNAJU-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.33
Rot. Bonds6

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

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine (PubChem CID 115599064) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
PubChem CID115599064
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3S/c1-2-3-4-5-13-8-9-10(12)14-11-15(9)6-7-16-11/h6-7,13H,2-5,8H2,1H3
InChIKeyCTSXBHCILVNAJU-UHFFFAOYSA-N
XLogP3.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.33
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

3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 111104956
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-methylacetamide;hydrochloride
CID 115599070
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440614
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118623
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 115614598
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469551
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine (CID 115599064) is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine is CCCCCNCc1c(Cl)nc2sccn12.
What is the InChIKey of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine?
The InChIKey is CTSXBHCILVNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-2-3-4-5-13-8-9-10(12)14-11-15(9)6-7-16-11/h6-7,13H,2-5,8H2,1H3.
What are the key properties of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine?
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine has a molecular weight of 257.79 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).