2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine

C14H18N2S — CID 65168981

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1ccccc1
InChIInChI=1S/C14H18N2S/c1-10-11(2)17-14(16-10)9-13(15-3)12-7-5-4-6-8-12/h4-8,13,15H,9H2,1-3H3
InChIKeyNDJZPDIURAMNQM-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.26
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine (PubChem CID 65168981) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
PubChem CID65168981
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1ccccc1
InChIInChI=1S/C14H18N2S/c1-10-11(2)17-14(16-10)9-13(15-3)12-7-5-4-6-8-12/h4-8,13,15H,9H2,1-3H3
InChIKeyNDJZPDIURAMNQM-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethyl]hydrazine
CID 105199172
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848898
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533845
1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103215960
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019626
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846232
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103406934
[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105192292
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019983

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine (CID 65168981) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine is CNC(Cc1nc(C)c(C)s1)c1ccccc1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine?
The InChIKey is NDJZPDIURAMNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-11(2)17-14(16-10)9-13(15-3)12-7-5-4-6-8-12/h4-8,13,15H,9H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 65168981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).