1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

C11H14ClN3S — CID 115334519

IUPAC1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESClC1CC(CNCc2cn3ccsc3n2)C1
InChIInChI=1S/C11H14ClN3S/c12-9-3-8(4-9)5-13-6-10-7-15-1-2-16-11(15)14-10/h1-2,7-9,13H,3-6H2
InChIKeyJLQCCOHSLZGSQJ-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.50
Rot. Bonds4

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

1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (PubChem CID 115334519) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
PubChem CID115334519
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESClC1CC(CNCc2cn3ccsc3n2)C1
InChIInChI=1S/C11H14ClN3S/c12-9-3-8(4-9)5-13-6-10-7-15-1-2-16-11(15)14-10/h1-2,7-9,13H,3-6H2
InChIKeyJLQCCOHSLZGSQJ-UHFFFAOYSA-N
XLogP2.50
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 115331705
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The IUPAC name of 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (CID 115334519) is 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is ClC1CC(CNCc2cn3ccsc3n2)C1.
What is the InChIKey of 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The InChIKey is JLQCCOHSLZGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c12-9-3-8(4-9)5-13-6-10-7-15-1-2-16-11(15)14-10/h1-2,7-9,13H,3-6H2.
What are the key properties of 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine has a molecular weight of 255.77 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is sourced from PubChem (CID 115334519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).