N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine

C12H16ClN3S — CID 102861387

IUPACN-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine
SMILESClCCN(Cc1cn2ccsc2n1)C1CCC1
InChIInChI=1S/C12H16ClN3S/c13-4-5-15(11-2-1-3-11)8-10-9-16-6-7-17-12(16)14-10/h6-7,9,11H,1-5,8H2
InChIKeyWAYTXJUNMAVGPL-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.99
Rot. Bonds5

About N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine

N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine (PubChem CID 102861387) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine
PubChem CID102861387
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine
SMILESClCCN(Cc1cn2ccsc2n1)C1CCC1
InChIInChI=1S/C12H16ClN3S/c13-4-5-15(11-2-1-3-11)8-10-9-16-6-7-17-12(16)14-10/h6-7,9,11H,1-5,8H2
InChIKeyWAYTXJUNMAVGPL-UHFFFAOYSA-N
XLogP2.99
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.99
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

N'-cyclopentyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethane-1,2-diamine
CID 113288909
3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile
CID 79004072
N-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332601
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398119
2-[(1,1-dioxothiolan-3-yl)-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]acetic acid
CID 115332428
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
CID 112571066
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxymethyl)cyclopentyl]methanamine
CID 113288951
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine?
The IUPAC name of N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine (CID 102861387) is N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine is ClCCN(Cc1cn2ccsc2n1)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine?
The InChIKey is WAYTXJUNMAVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c13-4-5-15(11-2-1-3-11)8-10-9-16-6-7-17-12(16)14-10/h6-7,9,11H,1-5,8H2.
What are the key properties of N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine?
N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine has a molecular weight of 269.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102861387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).