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

C13H16N2S — CID 105084395

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1csc(C)n1
InChIInChI=1S/C13H16N2S/c1-10-15-13(9-16-10)12(14-2)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3
InChIKeySLZSVWKYVZVIFU-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.95
Rot. Bonds4

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

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine (PubChem CID 105084395) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
PubChem CID105084395
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1csc(C)n1
InChIInChI=1S/C13H16N2S/c1-10-15-13(9-16-10)12(14-2)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3
InChIKeySLZSVWKYVZVIFU-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105151834
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107891595
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 61330730
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105085899
N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897
(3S)-3-(2-methyl-1,3-thiazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104863011
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
CID 107357241

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine (CID 105084395) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine is CNC(Cc1ccccc1)c1csc(C)n1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine?
The InChIKey is SLZSVWKYVZVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-15-13(9-16-10)12(14-2)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine is sourced from PubChem (CID 105084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).