2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

C16H16FN3S — CID 43772741

IUPAC2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCc1ccc(F)c(NC(c2cccs2)c2nccn2C)c1
InChIInChI=1S/C16H16FN3S/c1-11-5-6-12(17)13(10-11)19-15(14-4-3-9-21-14)16-18-7-8-20(16)2/h3-10,15,19H,1-2H3
InChIKeyIQXMTDGQUZGVLY-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.13
Rot. Bonds4

About 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (PubChem CID 43772741) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
PubChem CID43772741
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCc1ccc(F)c(NC(c2cccs2)c2nccn2C)c1
InChIInChI=1S/C16H16FN3S/c1-11-5-6-12(17)13(10-11)19-15(14-4-3-9-21-14)16-18-7-8-20(16)2/h3-10,15,19H,1-2H3
InChIKeyIQXMTDGQUZGVLY-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43775963
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 81270186
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
CID 63999346
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (CID 43772741) is 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is Cc1ccc(F)c(NC(c2cccs2)c2nccn2C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The InChIKey is IQXMTDGQUZGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-11-5-6-12(17)13(10-11)19-15(14-4-3-9-21-14)16-18-7-8-20(16)2/h3-10,15,19H,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline has a molecular weight of 301.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is sourced from PubChem (CID 43772741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).