6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

C12H13FN2S — CID 61397753

IUPAC6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1cccs1)Nc1cccc(F)n1
InChIInChI=1S/C12H13FN2S/c1-9(8-10-4-3-7-16-10)14-12-6-2-5-11(13)15-12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyKCLQUVMEEPXJFJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.33
Rot. Bonds4

About 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (PubChem CID 61397753) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
PubChem CID61397753
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1cccs1)Nc1cccc(F)n1
InChIInChI=1S/C12H13FN2S/c1-9(8-10-4-3-7-16-10)14-12-6-2-5-11(13)15-12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyKCLQUVMEEPXJFJ-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol
CID 116812806
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
CID 103705067
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
CID 135109642
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80950302

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (CID 61397753) is 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is CC(Cc1cccs1)Nc1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is KCLQUVMEEPXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-9(8-10-4-3-7-16-10)14-12-6-2-5-11(13)15-12/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 61397753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).