5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

C12H13BrN4S2 — CID 107083765

IUPAC5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1ncsc1CN(C)c1nc2sccn2c1CBr
InChIInChI=1S/C12H13BrN4S2/c1-8-10(19-7-14-8)6-16(2)11-9(5-13)17-3-4-18-12(17)15-11/h3-4,7H,5-6H2,1-2H3
InChIKeySKYVJMIFURCWFK-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.69
Rot. Bonds4

About 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107083765) has the molecular formula C12H13BrN4S2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107083765
Molecular FormulaC12H13BrN4S2
Molecular Weight357.30 g/mol
Exact Mass355.98
IUPAC Name5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1ncsc1CN(C)c1nc2sccn2c1CBr
InChIInChI=1S/C12H13BrN4S2/c1-8-10(19-7-14-8)6-16(2)11-9(5-13)17-3-4-18-12(17)15-11/h3-4,7H,5-6H2,1-2H3
InChIKeySKYVJMIFURCWFK-UHFFFAOYSA-N
XLogP3.69
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107081020
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107082506
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203
5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107084387
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61418071
5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 67369478
3-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methylpropyl)amino]propanenitrile
CID 107082308
5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107083113
5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786892

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 107083765) is 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is Cc1ncsc1CN(C)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is SKYVJMIFURCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S2/c1-8-10(19-7-14-8)6-16(2)11-9(5-13)17-3-4-18-12(17)15-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 357.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107083765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).