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

C16H16N2S2 — CID 43724564

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
SMILESCc1nc(C(C)Nc2ccccc2-c2cccs2)cs1
InChIInChI=1S/C16H16N2S2/c1-11(15-10-20-12(2)18-15)17-14-7-4-3-6-13(14)16-8-5-9-19-16/h3-11,17H,1-2H3
InChIKeyBQJSVLPDWYIVLN-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.35
Rot. Bonds4

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline (PubChem CID 43724564) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
PubChem CID43724564
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
SMILESCc1nc(C(C)Nc2ccccc2-c2cccs2)cs1
InChIInChI=1S/C16H16N2S2/c1-11(15-10-20-12(2)18-15)17-14-7-4-3-6-13(14)16-8-5-9-19-16/h3-11,17H,1-2H3
InChIKeyBQJSVLPDWYIVLN-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
CID 83119202
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724573
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
2-(2-thiophen-2-ylanilino)propanoic acid
CID 66173526
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
N-heptan-4-yl-2-thiophen-2-ylaniline
CID 43724523
N-methyl-N-[[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methyl]acetamide
CID 43692128

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline (CID 43724564) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline is Cc1nc(C(C)Nc2ccccc2-c2cccs2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline?
The InChIKey is BQJSVLPDWYIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-11(15-10-20-12(2)18-15)17-14-7-4-3-6-13(14)16-8-5-9-19-16/h3-11,17H,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline has a molecular weight of 300.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).