N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine

C12H13FN2S — CID 103934195

IUPACN-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
SMILESCCc1ccc(CNc2ccc(F)nc2)s1
InChIInChI=1S/C12H13FN2S/c1-2-10-4-5-11(16-10)8-14-9-3-6-12(13)15-7-9/h3-7,14H,2,8H2,1H3
InChIKeyLVXWBEURCGSUOG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.46
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine

N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103934195) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
PubChem CID103934195
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
SMILESCCc1ccc(CNc2ccc(F)nc2)s1
InChIInChI=1S/C12H13FN2S/c1-2-10-4-5-11(16-10)8-14-9-3-6-12(13)15-7-9/h3-7,14H,2,8H2,1H3
InChIKeyLVXWBEURCGSUOG-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-[[(6-fluoro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 103949613
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020
N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 62347146
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
N-[(5-ethylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115281522
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106014067
5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
CID 106015386

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine (CID 103934195) is N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine is CCc1ccc(CNc2ccc(F)nc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is LVXWBEURCGSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-10-4-5-11(16-10)8-14-9-3-6-12(13)15-7-9/h3-7,14H,2,8H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine?
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 236.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103934195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).