N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline

C13H16N2S — CID 90392146

IUPACN-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline
SMILESCNc1ccc(CC(C)c2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-10(13-15-7-8-16-13)9-11-3-5-12(14-2)6-4-11/h3-8,10,14H,9H2,1-2H3
InChIKeyVYBLSUWUNZIGLF-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.53
Rot. Bonds4

About N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline

N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline (PubChem CID 90392146) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline
PubChem CID90392146
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline
SMILESCNc1ccc(CC(C)c2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-10(13-15-7-8-16-13)9-11-3-5-12(14-2)6-4-11/h3-8,10,14H,9H2,1-2H3
InChIKeyVYBLSUWUNZIGLF-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
3-methyl-2-[(E)-(1-methylquinolin-4-ylidene)methyl]-1,3-thiazol-3-ium iodide
CID 155514820
4-(2-Pyridin-3-yl-1,3-thiazol-4-yl)aniline
CID 1446108
4-(2-(2-Propylpyridin-4-yl)thiazol-4-yl)benzenamine
CID 25012739
n-Isopropyl-4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)benzenamine
CID 25012896
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012899
N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012900
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
Thiazolium, 2-(p-(dimethylamino)phenyl)-3-methyl-, iodide
CID 209189
4-(1,3-Thiazol-2-yl)aniline
CID 3474784
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline?
The IUPAC name of N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline (CID 90392146) is N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline.
What is the SMILES notation for N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline?
The canonical SMILES for N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline is CNc1ccc(CC(C)c2nccs2)cc1.
What is the InChIKey of N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline?
The InChIKey is VYBLSUWUNZIGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(13-15-7-8-16-13)9-11-3-5-12(14-2)6-4-11/h3-8,10,14H,9H2,1-2H3.
What are the key properties of N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline?
N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline is sourced from PubChem (CID 90392146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).