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

C14H18Cl2N2S — CID 112571066

IUPAC6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
SMILESClCC(CCl)(Cc1cn2ccsc2n1)C1CCCC1
InChIInChI=1S/C14H18Cl2N2S/c15-9-14(10-16,11-3-1-2-4-11)7-12-8-18-5-6-19-13(18)17-12/h5-6,8,11H,1-4,7,9-10H2
InChIKeyMDERLVVCXZZZRV-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.59
Rot. Bonds5

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

6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 112571066) has the molecular formula C14H18Cl2N2S and a molecular weight of 317.28 g/mol. Its IUPAC name is 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
PubChem CID112571066
Molecular FormulaC14H18Cl2N2S
Molecular Weight317.28 g/mol
Exact Mass316.06
IUPAC Name6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
SMILESClCC(CCl)(Cc1cn2ccsc2n1)C1CCCC1
InChIInChI=1S/C14H18Cl2N2S/c15-9-14(10-16,11-3-1-2-4-11)7-12-8-18-5-6-19-13(18)17-12/h5-6,8,11H,1-4,7,9-10H2
InChIKeyMDERLVVCXZZZRV-UHFFFAOYSA-N
XLogP4.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.59
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

6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
CID 115335151
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine
CID 102861387
N-tert-butyl-2-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
CID 83159614
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641228
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole (CID 112571066) is 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole is ClCC(CCl)(Cc1cn2ccsc2n1)C1CCCC1.
What is the InChIKey of 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is MDERLVVCXZZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2S/c15-9-14(10-16,11-3-1-2-4-11)7-12-8-18-5-6-19-13(18)17-12/h5-6,8,11H,1-4,7,9-10H2.
What are the key properties of 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole?
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 317.28 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 112571066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).