3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C18H13F2N5S — CID 31906112

IUPAC3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ccc(F)c3cccnc23)nnc1-c1ccccc1F
InChIInChI=1S/C18H13F2N5S/c19-14-6-2-1-4-13(14)17-23-24-18(25(17)21)26-10-11-7-8-15(20)12-5-3-9-22-16(11)12/h1-9H,10,21H2
InChIKeyGNYYFSKXNRPOMR-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.78
Rot. Bonds4

About 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 31906112) has the molecular formula C18H13F2N5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID31906112
Molecular FormulaC18H13F2N5S
Molecular Weight369.40 g/mol
Exact Mass369.09
IUPAC Name3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ccc(F)c3cccnc23)nnc1-c1ccccc1F
InChIInChI=1S/C18H13F2N5S/c19-14-6-2-1-4-13(14)17-23-24-18(25(17)21)26-10-11-7-8-15(20)12-5-3-9-22-16(11)12/h1-9H,10,21H2
InChIKeyGNYYFSKXNRPOMR-UHFFFAOYSA-N
XLogP3.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 78865754
3-[(2-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
CID 7989790
2-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249080
3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
CID 7989777
5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250007
3-(2-fluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7628486
3-(2-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 2034904
3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
CID 2558458
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile
CID 16582257
3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 3810232
5-fluoro-8-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 78867181
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 2558653

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 31906112) is 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Nn1c(SCc2ccc(F)c3cccnc23)nnc1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is GNYYFSKXNRPOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5S/c19-14-6-2-1-4-13(14)17-23-24-18(25(17)21)26-10-11-7-8-15(20)12-5-3-9-22-16(11)12/h1-9H,10,21H2.
What are the key properties of 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 369.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 31906112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).