2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C16H18ClN3S — CID 43625798

IUPAC2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1cn2c(CNCCc3ccc(Cl)cc3)c(C)nc2s1
InChIInChI=1S/C16H18ClN3S/c1-11-10-20-15(12(2)19-16(20)21-11)9-18-8-7-13-3-5-14(17)6-4-13/h3-6,10,18H,7-9H2,1-2H3
InChIKeyACUHKUPCIAGBSO-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 43625798) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID43625798
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1cn2c(CNCCc3ccc(Cl)cc3)c(C)nc2s1
InChIInChI=1S/C16H18ClN3S/c1-11-10-20-15(12(2)19-16(20)21-11)9-18-8-7-13-3-5-14(17)6-4-13/h3-6,10,18H,7-9H2,1-2H3
InChIKeyACUHKUPCIAGBSO-UHFFFAOYSA-N
XLogP4.00
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.00
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

4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol
CID 61238024
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43625829
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639200
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43625709
N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 122157324
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807
2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43625869
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834011
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
CID 78988134

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 43625798) is 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1cn2c(CNCCc3ccc(Cl)cc3)c(C)nc2s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is ACUHKUPCIAGBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-11-10-20-15(12(2)19-16(20)21-11)9-18-8-7-13-3-5-14(17)6-4-13/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 319.86 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 43625798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).