3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine

C18H14FN5S — CID 25204318

IUPAC3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESFc1cccc(Cn2cc(-c3nsc(Nc4ccccc4)n3)cn2)c1
InChIInChI=1S/C18H14FN5S/c19-15-6-4-5-13(9-15)11-24-12-14(10-20-24)17-22-18(25-23-17)21-16-7-2-1-3-8-16/h1-10,12H,11H2,(H,21,22,23)
InChIKeyORWLZBHASYGJOX-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.33
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine

3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 25204318) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID25204318
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESFc1cccc(Cn2cc(-c3nsc(Nc4ccccc4)n3)cn2)c1
InChIInChI=1S/C18H14FN5S/c19-15-6-4-5-13(9-15)11-24-12-14(10-20-24)17-22-18(25-23-17)21-16-7-2-1-3-8-16/h1-10,12H,11H2,(H,21,22,23)
InChIKeyORWLZBHASYGJOX-UHFFFAOYSA-N
XLogP4.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
3-(1-ethylpyrazol-4-yl)-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 25204109
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164576523
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
CID 151784977
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
CID 62770833
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 71203560
3-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 25204252

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine (CID 25204318) is 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine is Fc1cccc(Cn2cc(-c3nsc(Nc4ccccc4)n3)cn2)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ORWLZBHASYGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c19-15-6-4-5-13(9-15)11-24-12-14(10-20-24)17-22-18(25-23-17)21-16-7-2-1-3-8-16/h1-10,12H,11H2,(H,21,22,23).
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine?
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 351.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 25204318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).