2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C11H12FN3S — CID 43664156

IUPAC2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESFc1cccc(CCNCc2csnn2)c1
InChIInChI=1S/C11H12FN3S/c12-10-3-1-2-9(6-10)4-5-13-7-11-8-16-15-14-11/h1-3,6,8,13H,4-5,7H2
InChIKeyMFYPYMMOKWDUGL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds5

About 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43664156) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43664156
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESFc1cccc(CCNCc2csnn2)c1
InChIInChI=1S/C11H12FN3S/c12-10-3-1-2-9(6-10)4-5-13-7-11-8-16-15-14-11/h1-3,6,8,13H,4-5,7H2
InChIKeyMFYPYMMOKWDUGL-UHFFFAOYSA-N
XLogP2.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorobenzyl)-1,2,3-thiadiazole-4-carboxamide
CID 1454957
N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide
CID 75500898
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-[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 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43664156) is 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is Fc1cccc(CCNCc2csnn2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is MFYPYMMOKWDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c12-10-3-1-2-9(6-10)4-5-13-7-11-8-16-15-14-11/h1-3,6,8,13H,4-5,7H2.
What are the key properties of 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43664156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).