N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C15H17ClN4S — CID 61416879

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNCc1c(N(C)Cc2cccc(Cl)c2)nc2sccn12
InChIInChI=1S/C15H17ClN4S/c1-17-9-13-14(18-15-20(13)6-7-21-15)19(2)10-11-4-3-5-12(16)8-11/h3-8,17H,9-10H2,1-2H3
InChIKeyVPJLVHDHMAWSDJ-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.40
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 61416879) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID61416879
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNCc1c(N(C)Cc2cccc(Cl)c2)nc2sccn12
InChIInChI=1S/C15H17ClN4S/c1-17-9-13-14(18-15-20(13)6-7-21-15)19(2)10-11-4-3-5-12(16)8-11/h3-8,17H,9-10H2,1-2H3
InChIKeyVPJLVHDHMAWSDJ-UHFFFAOYSA-N
XLogP3.40
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61415968
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61418071
[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43563571
[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 62979731
5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43564433
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61418301
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
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
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476745
5-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43528430
N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43611473

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 61416879) is N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CNCc1c(N(C)Cc2cccc(Cl)c2)nc2sccn12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is VPJLVHDHMAWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-17-9-13-14(18-15-20(13)6-7-21-15)19(2)10-11-4-3-5-12(16)8-11/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 320.85 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 61416879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).