3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

C15H14FN3OS2 — CID 18145400

IUPAC3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
SMILESCOc1ccc(F)cc1CSc1n[nH]c(Cc2cccs2)n1
InChIInChI=1S/C15H14FN3OS2/c1-20-13-5-4-11(16)7-10(13)9-22-15-17-14(18-19-15)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3,(H,17,18,19)
InChIKeyPMOIOTOVVJSWJT-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.90
Rot. Bonds6

About 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole (PubChem CID 18145400) has the molecular formula C15H14FN3OS2 and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
PubChem CID18145400
Molecular FormulaC15H14FN3OS2
Molecular Weight335.43 g/mol
Exact Mass335.06
IUPAC Name3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
SMILESCOc1ccc(F)cc1CSc1n[nH]c(Cc2cccs2)n1
InChIInChI=1S/C15H14FN3OS2/c1-20-13-5-4-11(16)7-10(13)9-22-15-17-14(18-19-15)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3,(H,17,18,19)
InChIKeyPMOIOTOVVJSWJT-UHFFFAOYSA-N
XLogP3.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18144398
3-(4-methoxyphenyl)-5-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 16607630
3-[(3-bromophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 18278341
3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 167958102
5-(5-chloro-2-methoxyphenyl)-3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 7982231
N-[(2-methoxyphenyl)methyl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18144418
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 18279765
N-(3-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16612763
3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 24657718
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 24657713
2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16607216
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16607539

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole (CID 18145400) is 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole is COc1ccc(F)cc1CSc1n[nH]c(Cc2cccs2)n1.
What is the InChIKey of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The InChIKey is PMOIOTOVVJSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS2/c1-20-13-5-4-11(16)7-10(13)9-22-15-17-14(18-19-15)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3,(H,17,18,19).
What are the key properties of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole has a molecular weight of 335.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 18145400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).