5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C15H16ClN3OS — CID 61418071

IUPAC5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOc1ccc(CN(C)c2nc3sccn3c2CCl)cc1
InChIInChI=1S/C15H16ClN3OS/c1-18(10-11-3-5-12(20-2)6-4-11)14-13(9-16)19-7-8-21-15(19)17-14/h3-8H,9-10H2,1-2H3
InChIKeyIRJXTYVKIVSHSB-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.78
Rot. Bonds5

About 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 61418071) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID61418071
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOc1ccc(CN(C)c2nc3sccn3c2CCl)cc1
InChIInChI=1S/C15H16ClN3OS/c1-18(10-11-3-5-12(20-2)6-4-11)14-13(9-16)19-7-8-21-15(19)17-14/h3-8H,9-10H2,1-2H3
InChIKeyIRJXTYVKIVSHSB-UHFFFAOYSA-N
XLogP3.78
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.78
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

5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107082506
5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786892
5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43564433
5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79849748
5-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43528430
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
N-[(3-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61415968
N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61416879
5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
CID 43476188
[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43563571
5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107081020

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 61418071) is 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is COc1ccc(CN(C)c2nc3sccn3c2CCl)cc1.
What is the InChIKey of 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is IRJXTYVKIVSHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-18(10-11-3-5-12(20-2)6-4-11)14-13(9-16)19-7-8-21-15(19)17-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 321.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 61418071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).