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

C13H16N2S — CID 28781106

IUPAC2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C13H16N2S/c1-3-11-6-4-5-7-13(11)14-8-12-9-16-10(2)15-12/h4-7,9,14H,3,8H2,1-2H3
InChIKeyFGHLEIAVAHOSQU-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.63
Rot. Bonds4

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

2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28781106) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28781106
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C13H16N2S/c1-3-11-6-4-5-7-13(11)14-8-12-9-16-10(2)15-12/h4-7,9,14H,3,8H2,1-2H3
InChIKeyFGHLEIAVAHOSQU-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

2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61284204
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
ethyl 2-amino-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate
CID 115545348
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28781106) is 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is CCc1ccccc1NCc1csc(C)n1.
What is the InChIKey of 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is FGHLEIAVAHOSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-11-6-4-5-7-13(11)14-8-12-9-16-10(2)15-12/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline 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 2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28781106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).