5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine

C12H13FN2S — CID 61474270

IUPAC5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2ccc(F)cn2)s1
InChIInChI=1S/C12H13FN2S/c1-8-3-5-11(16-8)9(2)15-12-6-4-10(13)7-14-12/h3-7,9H,1-2H3,(H,14,15)
InChIKeyIUXPHKAUJWRVLH-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.76
Rot. Bonds3

About 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine

5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine (PubChem CID 61474270) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine
PubChem CID61474270
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2ccc(F)cn2)s1
InChIInChI=1S/C12H13FN2S/c1-8-3-5-11(16-8)9(2)15-12-6-4-10(13)7-14-12/h3-7,9H,1-2H3,(H,14,15)
InChIKeyIUXPHKAUJWRVLH-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[1-(5-methylthiophen-2-yl)ethyl]quinoxalin-2-amine
CID 47371005
6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
CID 80800505
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
5-fluoro-2-N-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801316
6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61475220
2,3,5-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 55119065
N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 54953837
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71932052
N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47371000
2,3-difluoro-4-[1-(5-methylthiophen-2-yl)ethylamino]benzenecarbothioamide
CID 107934687
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine (CID 61474270) is 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine is Cc1ccc(C(C)Nc2ccc(F)cn2)s1.
What is the InChIKey of 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine?
The InChIKey is IUXPHKAUJWRVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-3-5-11(16-8)9(2)15-12-6-4-10(13)7-14-12/h3-7,9H,1-2H3,(H,14,15).
What are the key properties of 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine?
5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine has a molecular weight of 236.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 61474270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).