1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

C13H15F2N3S — CID 105143808

IUPAC1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3S/c1-3-4-11-13(19-18-17-11)12(16-2)9-7-8(14)5-6-10(9)15/h5-7,12,16H,3-4H2,1-2H3
InChIKeyXDLGHUXFSYTNOZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105143808) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105143808
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3S/c1-3-4-11-13(19-18-17-11)12(16-2)9-7-8(14)5-6-10(9)15/h5-7,12,16H,3-4H2,1-2H3
InChIKeyXDLGHUXFSYTNOZ-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105143962
1-(2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105120034
1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105145197
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105161965
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
CID 105143857
[(2,6-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105308059
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (CID 105143808) is 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is XDLGHUXFSYTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-3-4-11-13(19-18-17-11)12(16-2)9-7-8(14)5-6-10(9)15/h5-7,12,16H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 283.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105143808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).