N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine

C14H17F2N3S — CID 105149394

IUPACN-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1snnc1C(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3S/c1-4-17-13(11-9(15)6-5-7-10(11)16)14-12(8(2)3)18-19-20-14/h5-8,13,17H,4H2,1-3H3
InChIKeyWINDZUVUPFNSGB-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.64
Rot. Bonds5

About N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine

N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105149394) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105149394
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC NameN-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1snnc1C(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3S/c1-4-17-13(11-9(15)6-5-7-10(11)16)14-12(8(2)3)18-19-20-14/h5-8,13,17H,4H2,1-3H3
InChIKeyWINDZUVUPFNSGB-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105292443
N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105189422
[(2,6-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105308059
N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786474
N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105090721
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
[(4-propan-2-ylthiadiazol-5-yl)-(4-propylphenyl)methyl]hydrazine
CID 105303905
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (CID 105149394) is N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1snnc1C(C)C)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is WINDZUVUPFNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-4-17-13(11-9(15)6-5-7-10(11)16)14-12(8(2)3)18-19-20-14/h5-8,13,17H,4H2,1-3H3.
What are the key properties of N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 297.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105149394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).