1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C11H12FN3S — CID 43664052

IUPAC1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3S/c1-8(9-3-2-4-10(12)5-9)13-6-11-7-16-15-14-11/h2-5,7-8,13H,6H2,1H3
InChIKeyFUIUSZSGNSUSRG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43664052) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43664052
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3S/c1-8(9-3-2-4-10(12)5-9)13-6-11-7-16-15-14-11/h2-5,7-8,13H,6H2,1H3
InChIKeyFUIUSZSGNSUSRG-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorobenzyl)-1,2,3-thiadiazole-4-carboxamide
CID 1454957
1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
(4-Fluoro-2-(1,2,3-thiadiazol-4-yl)phenyl)methanamine
CID 21069873
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57031214
N-[(2-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57131893
(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 71015547
4-[[(3R)-3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 139302679
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
CID 174509471
4-[1,3-Bis[(4-fluorophenyl)methyl]-1,3-diazinane-1,3-diium-2-yl]thiadiazole
CID 7221582
N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 40154592

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43664052) is 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(NCc1csnn1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is FUIUSZSGNSUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-8(9-3-2-4-10(12)5-9)13-6-11-7-16-15-14-11/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43664052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).