6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole

C16H17ClN2S — CID 115335168

IUPAC6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cccc(CC(CCl)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H17ClN2S/c1-12-3-2-4-13(7-12)8-14(10-17)9-15-11-19-5-6-20-16(19)18-15/h2-7,11,14H,8-10H2,1H3
InChIKeyPPESVOYGKCGBEE-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.34
Rot. Bonds5

About 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole

6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335168) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335168
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cccc(CC(CCl)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H17ClN2S/c1-12-3-2-4-13(7-12)8-14(10-17)9-15-11-19-5-6-20-16(19)18-15/h2-7,11,14H,8-10H2,1H3
InChIKeyPPESVOYGKCGBEE-UHFFFAOYSA-N
XLogP4.34
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335167
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866

Frequently Asked Questions

What is the IUPAC name of 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole (CID 115335168) is 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole is Cc1cccc(CC(CCl)Cc2cn3ccsc3n2)c1.
What is the InChIKey of 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is PPESVOYGKCGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-12-3-2-4-13(7-12)8-14(10-17)9-15-11-19-5-6-20-16(19)18-15/h2-7,11,14H,8-10H2,1H3.
What are the key properties of 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 304.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).