5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

C19H16N4OS2 — CID 2532461

IUPAC5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C19H16N4OS2/c1-24-16-9-7-15(8-10-16)23-13-21-22-19(23)25-12-17-11-20-18(26-17)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKeyQJAHQVHNBHPSJF-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.69
Rot. Bonds6

About 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2532461) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2532461
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C19H16N4OS2/c1-24-16-9-7-15(8-10-16)23-13-21-22-19(23)25-12-17-11-20-18(26-17)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKeyQJAHQVHNBHPSJF-UHFFFAOYSA-N
XLogP4.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2532461) is 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is COc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is QJAHQVHNBHPSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-24-16-9-7-15(8-10-16)23-13-21-22-19(23)25-12-17-11-20-18(26-17)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3.
What are the key properties of 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 380.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2532461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).