2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

C11H12FN3S — CID 105095616

IUPAC2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1)c1csnn1
InChIInChI=1S/C11H12FN3S/c1-13-10(11-7-16-15-14-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,13H,6H2,1H3
InChIKeyRXCKVOWJPMSLSW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105095616) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105095616
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1)c1csnn1
InChIInChI=1S/C11H12FN3S/c1-13-10(11-7-16-15-14-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,13H,6H2,1H3
InChIKeyRXCKVOWJPMSLSW-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
[2-(3-methylphenyl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105285012
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 105095616) is 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1cccc(F)c1)c1csnn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is RXCKVOWJPMSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-13-10(11-7-16-15-14-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,13H,6H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105095616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).