[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine

C10H9F2N3S2 — CID 63807700

IUPAC[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1nnc(Sc2c(F)cc(CN)cc2F)s1
InChIInChI=1S/C10H9F2N3S2/c1-5-14-15-10(16-5)17-9-7(11)2-6(4-13)3-8(9)12/h2-3H,4,13H2,1H3
InChIKeyZALCRFWABYSLHP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.73
Rot. Bonds3

About [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine

[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 63807700) has the molecular formula C10H9F2N3S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID63807700
Molecular FormulaC10H9F2N3S2
Molecular Weight273.33 g/mol
Exact Mass273.02
IUPAC Name[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1nnc(Sc2c(F)cc(CN)cc2F)s1
InChIInChI=1S/C10H9F2N3S2/c1-5-14-15-10(16-5)17-9-7(11)2-6(4-13)3-8(9)12/h2-3H,4,13H2,1H3
InChIKeyZALCRFWABYSLHP-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine (CID 63807700) is [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine is Cc1nnc(Sc2c(F)cc(CN)cc2F)s1.
What is the InChIKey of [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is ZALCRFWABYSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S2/c1-5-14-15-10(16-5)17-9-7(11)2-6(4-13)3-8(9)12/h2-3H,4,13H2,1H3.
What are the key properties of [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 63807700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).