6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole

C11H15ClN2S — CID 115334174

IUPAC6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
SMILESCCC(Cl)C(C)Cc1cn2ccsc2n1
InChIInChI=1S/C11H15ClN2S/c1-3-10(12)8(2)6-9-7-14-4-5-15-11(14)13-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyCCWCLEUOASUCRY-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.59
Rot. Bonds4

About 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole

6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 115334174) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
PubChem CID115334174
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
SMILESCCC(Cl)C(C)Cc1cn2ccsc2n1
InChIInChI=1S/C11H15ClN2S/c1-3-10(12)8(2)6-9-7-14-4-5-15-11(14)13-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyCCWCLEUOASUCRY-UHFFFAOYSA-N
XLogP3.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.59
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

4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole (CID 115334174) is 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole is CCC(Cl)C(C)Cc1cn2ccsc2n1.
What is the InChIKey of 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is CCWCLEUOASUCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-3-10(12)8(2)6-9-7-14-4-5-15-11(14)13-9/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole?
6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 242.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).