2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline

C13H17N3S — CID 22414436

IUPAC2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCNC(Cc1ccccc1N)c1ncc(C)s1
InChIInChI=1S/C13H17N3S/c1-9-8-16-13(17-9)12(15-2)7-10-5-3-4-6-11(10)14/h3-6,8,12,15H,7,14H2,1-2H3
InChIKeyBAUTYXMXZFSQDQ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline

2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 22414436) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID22414436
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCNC(Cc1ccccc1N)c1ncc(C)s1
InChIInChI=1S/C13H17N3S/c1-9-8-16-13(17-9)12(15-2)7-10-5-3-4-6-11(10)14/h3-6,8,12,15H,7,14H2,1-2H3
InChIKeyBAUTYXMXZFSQDQ-UHFFFAOYSA-N
XLogP2.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline
CID 107274588
2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline;dihydrochloride
CID 22414400
2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline
CID 125466322
(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 42252000
2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 123661945
4-chloro-2-[(2S)-2-(methylamino)-2-phenylethyl]aniline
CID 96589066
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 114033693
1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840994
3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine
CID 113453367
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 113387604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline (CID 22414436) is 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline is CNC(Cc1ccccc1N)c1ncc(C)s1.
What is the InChIKey of 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is BAUTYXMXZFSQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-8-16-13(17-9)12(15-2)7-10-5-3-4-6-11(10)14/h3-6,8,12,15H,7,14H2,1-2H3.
What are the key properties of 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline?
2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 247.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-(5-methyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 22414436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).