5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine

C9H8FN3S — CID 10988567

IUPAC5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccc(F)cc2)CS1
InChIInChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChIKeyUFKREHYWZYNWGT-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.59
Rot. Bonds1

About 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine

5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine (PubChem CID 10988567) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine
PubChem CID10988567
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccc(F)cc2)CS1
InChIInChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChIKeyUFKREHYWZYNWGT-UHFFFAOYSA-N
XLogP1.59
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ST50101292
CID 5385994
5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135468797
benzyl N'-(1,2,2-trimethylpropylidene)hydrazonothiocarbamate hydrochloride
CID 9586225
5-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 667837
2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52943886
2-[(Z)-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52946395
2-Benzyl-3-(cycloheptylideneamino)isothiourea
CID 6536765
2-Benzyl-3-(cyclopentylideneamino)isothiourea
CID 6536766
2-allyl-3-[(E)-(4-fluorophenyl)methyleneamino]isothiourea
CID 9604746
2-Benzyl-3-(cyclooctylideneamino)isothiourea
CID 11820965
2-[(Z)-[(E)-3-(3-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52943887
Benzaldehyde 3-benzylisothiosemicarbazone
CID 9602279

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine (CID 10988567) is 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine is NC1=NN=C(c2ccc(F)cc2)CS1.
What is the InChIKey of 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is UFKREHYWZYNWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine?
5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 10988567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).