1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine

C10H10FN3S2 — CID 63806022

IUPAC1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1nncs1
InChIInChI=1S/C10H10FN3S2/c1-12-5-7-4-8(11)2-3-9(7)16-10-14-13-6-15-10/h2-4,6,12H,5H2,1H3
InChIKeyALEFASDFPIETCA-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.55
Rot. Bonds4

About 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine

1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 63806022) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID63806022
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1nncs1
InChIInChI=1S/C10H10FN3S2/c1-12-5-7-4-8(11)2-3-9(7)16-10-14-13-6-15-10/h2-4,6,12H,5H2,1H3
InChIKeyALEFASDFPIETCA-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63806004
[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
CID 63672826
1-[4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114864146
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 63802367
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63808217
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63806030

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine (CID 63806022) is 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Sc1nncs1.
What is the InChIKey of 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is ALEFASDFPIETCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-12-5-7-4-8(11)2-3-9(7)16-10-14-13-6-15-10/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 255.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63806022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).