3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C19H16FN5S2 — CID 4826793

IUPAC3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(Cc2ccccc2F)nnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H16FN5S2/c20-16-9-5-4-8-14(16)10-17-23-24-19(25(17)21)27-12-15-11-26-18(22-15)13-6-2-1-3-7-13/h1-9,11H,10,12,21H2
InChIKeyOBYHFNPMCPXFAP-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.14
Rot. Bonds6

About 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 4826793) has the molecular formula C19H16FN5S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID4826793
Molecular FormulaC19H16FN5S2
Molecular Weight397.50 g/mol
Exact Mass397.08
IUPAC Name3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(Cc2ccccc2F)nnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H16FN5S2/c20-16-9-5-4-8-14(16)10-17-23-24-19(25(17)21)27-12-15-11-26-18(22-15)13-6-2-1-3-7-13/h1-9,11H,10,12,21H2
InChIKeyOBYHFNPMCPXFAP-UHFFFAOYSA-N
XLogP4.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7995484
2-[4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2662711
2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 28830599
4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2112972
4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 18274726
4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7897610
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 31456517
3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408356
2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4847278
3-(3-fluorophenyl)-5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7770120
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 4826793) is 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Nn1c(Cc2ccccc2F)nnc1SCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is OBYHFNPMCPXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5S2/c20-16-9-5-4-8-14(16)10-17-23-24-19(25(17)21)27-12-15-11-26-18(22-15)13-6-2-1-3-7-13/h1-9,11H,10,12,21H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 397.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 4826793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).