3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

C9H7F2N3S — CID 64560024

IUPAC3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Cc2ccc(F)cc2F)ns1
InChIInChI=1S/C9H7F2N3S/c10-6-2-1-5(7(11)4-6)3-8-13-9(12)15-14-8/h1-2,4H,3H2,(H2,12,13,14)
InChIKeyYSUPWJLXNRFWDI-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.99
Rot. Bonds2

About 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 64560024) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID64560024
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Cc2ccc(F)cc2F)ns1
InChIInChI=1S/C9H7F2N3S/c10-6-2-1-5(7(11)4-6)3-8-13-9(12)15-14-8/h1-2,4H,3H2,(H2,12,13,14)
InChIKeyYSUPWJLXNRFWDI-UHFFFAOYSA-N
XLogP1.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
CID 83108024
N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276858
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300719
[2-[(2,4-difluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 64559876
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 64561232
[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 64559869
5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 64559058
2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 112746178
(1S)-2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 114006968
N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide
CID 174874736

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 64560024) is 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Nc1nc(Cc2ccc(F)cc2F)ns1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YSUPWJLXNRFWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c10-6-2-1-5(7(11)4-6)3-8-13-9(12)15-14-8/h1-2,4H,3H2,(H2,12,13,14).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 227.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 64560024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).