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

C16H16N2S2 — CID 78817000

IUPAC2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C16H16N2S2/c1-2-12-5-3-4-6-15(12)17-9-14-11-20-16(18-14)13-7-8-19-10-13/h3-8,10-11,17H,2,9H2,1H3
InChIKeyQZKVIILJMMEFNZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.05
Rot. Bonds5

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

2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 78817000) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID78817000
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC Name2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C16H16N2S2/c1-2-12-5-3-4-6-15(12)17-9-14-11-20-16(18-14)13-7-8-19-10-13/h3-8,10-11,17H,2,9H2,1H3
InChIKeyQZKVIILJMMEFNZ-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
3-[[(R)-methylsulfinyl]methyl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 97064705
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N-(2-propan-2-yloxyphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 38999275
N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 99832865
3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111469045
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline (CID 78817000) is 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline is CCc1ccccc1NCc1csc(-c2ccsc2)n1.
What is the InChIKey of 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is QZKVIILJMMEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-2-12-5-3-4-6-15(12)17-9-14-11-20-16(18-14)13-7-8-19-10-13/h3-8,10-11,17H,2,9H2,1H3.
What are the key properties of 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline?
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 300.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 78817000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).