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

C13H16N2S — CID 61330730

IUPACN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C13H16N2S/c1-10-9-16-13(15-10)12(14-2)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3
InChIKeyNKUINZCHDQIZOP-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.95
Rot. Bonds4

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

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine (PubChem CID 61330730) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
PubChem CID61330730
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C13H16N2S/c1-10-9-16-13(15-10)12(14-2)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3
InChIKeyNKUINZCHDQIZOP-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

N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
CID 55128930
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650383
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
N-methyl-2-phenyl-1-pyrimidin-2-ylethanamine
CID 60820448
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
CID 62795679
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine (CID 61330730) is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine is CNC(Cc1ccccc1)c1nc(C)cs1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
The InChIKey is NKUINZCHDQIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-9-16-13(15-10)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-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
N-methyl-1-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 61330730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).