N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine

C12H13FN2S — CID 65243439

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine
SMILESCc1cc(CNc2ncccc2F)sc1C
InChIInChI=1S/C12H13FN2S/c1-8-6-10(16-9(8)2)7-15-12-11(13)4-3-5-14-12/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLEMDQAZQSHWIIU-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.51
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine (PubChem CID 65243439) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine
PubChem CID65243439
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine
SMILESCc1cc(CNc2ncccc2F)sc1C
InChIInChI=1S/C12H13FN2S/c1-8-6-10(16-9(8)2)7-15-12-11(13)4-3-5-14-12/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLEMDQAZQSHWIIU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine (CID 65243439) is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine is Cc1cc(CNc2ncccc2F)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is LEMDQAZQSHWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-6-10(16-9(8)2)7-15-12-11(13)4-3-5-14-12/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 236.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 65243439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).