2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine

C13H15ClN2S — CID 115091633

IUPAC2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H15ClN2S/c1-15-7-6-12-9-16-13(17-12)8-10-2-4-11(14)5-3-10/h2-5,9,15H,6-8H2,1H3
InChIKeyGWLHIDHXYAYIPC-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115091633) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115091633
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H15ClN2S/c1-15-7-6-12-9-16-13(17-12)8-10-2-4-11(14)5-3-10/h2-5,9,15H,6-8H2,1H3
InChIKeyGWLHIDHXYAYIPC-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
CID 82422430
4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
CID 115091659
1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091580
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84772384
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine (CID 115091633) is 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1cnc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is GWLHIDHXYAYIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-15-7-6-12-9-16-13(17-12)8-10-2-4-11(14)5-3-10/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 266.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115091633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).