N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine

C11H11F2N3S — CID 65209005

IUPACN-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1snnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S/c1-2-14-6-10-11(15-16-17-10)8-4-3-7(12)5-9(8)13/h3-5,14H,2,6H2,1H3
InChIKeyMSOVBHJHHRQZAE-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.59
Rot. Bonds4

About N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine

N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine (PubChem CID 65209005) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
PubChem CID65209005
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC NameN-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1snnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S/c1-2-14-6-10-11(15-16-17-10)8-4-3-7(12)5-9(8)13/h3-5,14H,2,6H2,1H3
InChIKeyMSOVBHJHHRQZAE-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-bromo-4-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 114069218
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209566
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209284
N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine
CID 83128217
N-[[2-(2,4-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368646
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
CID 65208946
N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CID 79485450
N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209016
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
CID 82973605
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine (CID 65209005) is N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine is CCNCc1snnc1-c1ccc(F)cc1F.
What is the InChIKey of N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
The InChIKey is MSOVBHJHHRQZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-2-14-6-10-11(15-16-17-10)8-4-3-7(12)5-9(8)13/h3-5,14H,2,6H2,1H3.
What are the key properties of N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine has a molecular weight of 255.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65209005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).