5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine

C9H9FN4S — CID 66278551

IUPAC5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-12-9-13-8(11)14-15-9/h1-4H,5H2,(H3,11,12,13,14)
InChIKeyUIEFPRSEKDNSFC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.87
Rot. Bonds3

About 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278551) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278551
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-12-9-13-8(11)14-15-9/h1-4H,5H2,(H3,11,12,13,14)
InChIKeyUIEFPRSEKDNSFC-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66281183
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280964
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280983
5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 130718284
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426572
methyl 4-amino-3-[(4-fluorophenyl)methylcarbamoyl]-1,2-thiazole-5-carboxylate
CID 50743406
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
CID 115680838

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66278551) is 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is UIEFPRSEKDNSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-12-9-13-8(11)14-15-9/h1-4H,5H2,(H3,11,12,13,14).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 224.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).