1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

C11H12FN3S2 — CID 107524859

IUPAC1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCC(N)c2ccc(F)cc2)s1
InChIInChI=1S/C11H12FN3S2/c1-7-14-15-11(17-7)16-6-10(13)8-2-4-9(12)5-3-8/h2-5,10H,6,13H2,1H3
InChIKeyAIVFRNCUVOIMMW-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 107524859) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID107524859
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCC(N)c2ccc(F)cc2)s1
InChIInChI=1S/C11H12FN3S2/c1-7-14-15-11(17-7)16-6-10(13)8-2-4-9(12)5-3-8/h2-5,10H,6,13H2,1H3
InChIKeyAIVFRNCUVOIMMW-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107524855
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64650253
1-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64647920
1-(1-benzofuran-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650657
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 70428933
(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647161
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128851
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 107524859) is 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is Cc1nnc(SCC(N)c2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is AIVFRNCUVOIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-7-14-15-11(17-7)16-6-10(13)8-2-4-9(12)5-3-8/h2-5,10H,6,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 107524859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).