N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline

C13H16N2S — CID 60983133

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
SMILESCCc1ncc(CNc2ccccc2C)s1
InChIInChI=1S/C13H16N2S/c1-3-13-15-9-11(16-13)8-14-12-7-5-4-6-10(12)2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyXEHZHQMSAUQEMF-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline (PubChem CID 60983133) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
PubChem CID60983133
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
SMILESCCc1ncc(CNc2ccccc2C)s1
InChIInChI=1S/C13H16N2S/c1-3-13-15-9-11(16-13)8-14-12-7-5-4-6-10(12)2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyXEHZHQMSAUQEMF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine
CID 115735496
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236
2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883167
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 54883669
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
CID 54883427
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 60982261

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline (CID 60983133) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline is CCc1ncc(CNc2ccccc2C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline?
The InChIKey is XEHZHQMSAUQEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-13-15-9-11(16-13)8-14-12-7-5-4-6-10(12)2/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline has a molecular weight of 232.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline is sourced from PubChem (CID 60983133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).