5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine

C12H18ClN3S — CID 43476018

IUPAC5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCN(c1nc2sccn2c1CCl)C(C)C
InChIInChI=1S/C12H18ClN3S/c1-4-5-15(9(2)3)11-10(8-13)16-6-7-17-12(16)14-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyAYOXNKNROWBIHT-UHFFFAOYSA-N
MW271.82 g/mol
LogP3.76
Rot. Bonds5

About 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine

5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43476018) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43476018
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCN(c1nc2sccn2c1CCl)C(C)C
InChIInChI=1S/C12H18ClN3S/c1-4-5-15(9(2)3)11-10(8-13)16-6-7-17-12(16)14-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyAYOXNKNROWBIHT-UHFFFAOYSA-N
XLogP3.76
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 53.76
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

5-(aminomethyl)-N-pentyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55001985
2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol
CID 54995108
3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol
CID 54994539
5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79849748
5-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63815676
5-(aminomethyl)-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476275
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107082047
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
2-N-ethyl-1-N,1-N-dimethyl-2-N-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]propane-1,2-diamine
CID 103189987

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine (CID 43476018) is 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine is CCCN(c1nc2sccn2c1CCl)C(C)C.
What is the InChIKey of 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is AYOXNKNROWBIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3S/c1-4-5-15(9(2)3)11-10(8-13)16-6-7-17-12(16)14-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 271.82 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43476018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).