3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine

C12H12F2N2S — CID 112675753

IUPAC3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
SMILESCCC(Nc1ncc(F)cc1F)c1cccs1
InChIInChI=1S/C12H12F2N2S/c1-2-10(11-4-3-5-17-11)16-12-9(14)6-8(13)7-15-12/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyKBDXJWMVZMDTFD-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.98
Rot. Bonds4

About 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine

3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine (PubChem CID 112675753) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
PubChem CID112675753
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
SMILESCCC(Nc1ncc(F)cc1F)c1cccs1
InChIInChI=1S/C12H12F2N2S/c1-2-10(11-4-3-5-17-11)16-12-9(14)6-8(13)7-15-12/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyKBDXJWMVZMDTFD-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231403
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
5-methoxy-2-methyl-N-(1-thiophen-2-ylpropyl)pyridin-4-amine
CID 106660407
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine (CID 112675753) is 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine is CCC(Nc1ncc(F)cc1F)c1cccs1.
What is the InChIKey of 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
The InChIKey is KBDXJWMVZMDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-2-10(11-4-3-5-17-11)16-12-9(14)6-8(13)7-15-12/h3-7,10H,2H2,1H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine?
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 112675753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).