5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole

C16H16ClN3S — CID 62131580

IUPAC5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESClCc1c(N2CCC(c3ccccc3)C2)nc2sccn12
InChIInChI=1S/C16H16ClN3S/c17-10-14-15(18-16-20(14)8-9-21-16)19-7-6-13(11-19)12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2
InChIKeyGKQBIBYUOBXAQE-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.13
Rot. Bonds3

About 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 62131580) has the molecular formula C16H16ClN3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID62131580
Molecular FormulaC16H16ClN3S
Molecular Weight317.84 g/mol
Exact Mass317.08
IUPAC Name5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESClCc1c(N2CCC(c3ccccc3)C2)nc2sccn12
InChIInChI=1S/C16H16ClN3S/c17-10-14-15(18-16-20(14)8-9-21-16)19-7-6-13(11-19)12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2
InChIKeyGKQBIBYUOBXAQE-UHFFFAOYSA-N
XLogP4.13
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(Phenylmethylthio)methyl]imidazo[2,1-b]thiazole
CID 2997803
6-Methyl-7-(2-methylbenzyl)imidazo[2,1-b][1,3]thiazol-7-ium bromide
CID 2828874
6-Phenylimidazo[2,1-b]thiazole
CID 320232
5-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 329952
6-(4-Methylphenyl)imidazo(2,1-b)thiazole
CID 333016
6-Phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 4961665
6-(Azepan-1-ylmethyl)-2-phenylimidazo[2,1-b]thiazole maleate
CID 72706888
6-Methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium
CID 785032
2-Chloro-6-phenyl-imidazo[2,1-b]thiazole
CID 472915
Cambridge id 5691480
CID 757880
6-(4-Phenylphenyl)imidazo[2,1-b][1,3]thiazole
CID 333020
Imidazo[2,1-b]thiazole, 2-chloro-6-(4-methylphenyl)-
CID 472914

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole (CID 62131580) is 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole is ClCc1c(N2CCC(c3ccccc3)C2)nc2sccn12.
What is the InChIKey of 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is GKQBIBYUOBXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c17-10-14-15(18-16-20(14)8-9-21-16)19-7-6-13(11-19)12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2.
What are the key properties of 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 317.84 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 62131580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).