5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

C13H19BrN4S — CID 107084387

IUPAC5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC1CCCN1C)c1nc2sccn2c1CBr
InChIInChI=1S/C13H19BrN4S/c1-16-5-3-4-10(16)9-17(2)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyBCTRTIFHYHIAGF-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.82
Rot. Bonds4

About 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107084387) has the molecular formula C13H19BrN4S and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107084387
Molecular FormulaC13H19BrN4S
Molecular Weight343.29 g/mol
Exact Mass342.05
IUPAC Name5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC1CCCN1C)c1nc2sccn2c1CBr
InChIInChI=1S/C13H19BrN4S/c1-16-5-3-4-10(16)9-17(2)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyBCTRTIFHYHIAGF-UHFFFAOYSA-N
XLogP2.82
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79309236
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
N-methyl-5-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 63236687
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128569
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63631094
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107081020
5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107083765
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103334518
5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63071904

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 107084387) is 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is CN(CC1CCCN1C)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is BCTRTIFHYHIAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4S/c1-16-5-3-4-10(16)9-17(2)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 343.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107084387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).