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

C14H17ClN2S — CID 61287793

IUPAC1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C14H17ClN2S/c1-9(16-3)14-10(2)17-13(18-14)8-11-5-4-6-12(15)7-11/h4-7,9,16H,8H2,1-3H3
InChIKeyLZIJLOFIBWFWEH-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.98
Rot. Bonds4

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

1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 61287793) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID61287793
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C14H17ClN2S/c1-9(16-3)14-10(2)17-13(18-14)8-11-5-4-6-12(15)7-11/h4-7,9,16H,8H2,1-3H3
InChIKeyLZIJLOFIBWFWEH-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62551593
1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82431677
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 55118656
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55112162
N-[[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82428633
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745702
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 61287793) is 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(Cc2cccc(Cl)c2)nc1C.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is LZIJLOFIBWFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-9(16-3)14-10(2)17-13(18-14)8-11-5-4-6-12(15)7-11/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 280.82 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 61287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).