[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine

C10H10FN3S2 — CID 43530646

IUPAC[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(CSc2nncs2)c(F)c1
InChIInChI=1S/C10H10FN3S2/c11-9-3-7(4-12)1-2-8(9)5-15-10-14-13-6-16-10/h1-3,6H,4-5,12H2
InChIKeyRNRXQCHNYJEHIX-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.43
Rot. Bonds4

About [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine

[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 43530646) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID43530646
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(CSc2nncs2)c(F)c1
InChIInChI=1S/C10H10FN3S2/c11-9-3-7(4-12)1-2-8(9)5-15-10-14-13-6-16-10/h1-3,6H,4-5,12H2
InChIKeyRNRXQCHNYJEHIX-UHFFFAOYSA-N
XLogP2.43
TPSA51.80 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine (CID 43530646) is [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine is NCc1ccc(CSc2nncs2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is RNRXQCHNYJEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c11-9-3-7(4-12)1-2-8(9)5-15-10-14-13-6-16-10/h1-3,6H,4-5,12H2.
What are the key properties of [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine?
[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 255.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 43530646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).