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

C19H16N4OS2 — CID 2107694

IUPAC4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H16N4OS2/c1-24-17-10-6-5-9-16(17)23-13-20-22-19(23)26-12-15-11-25-18(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
InChIKeyQUXWTMQJDHYQBL-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.69
Rot. Bonds6

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

4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2107694) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2107694
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H16N4OS2/c1-24-17-10-6-5-9-16(17)23-13-20-22-19(23)26-12-15-11-25-18(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
InChIKeyQUXWTMQJDHYQBL-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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Related Compounds

4-[[4-(4-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2082525
2-[[5-(4-Methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2103544
2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2516206
2-[[[1-(2-Methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-1,3-benzothiazole
CID 2608648
4-[[1-(2-Methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2608909
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4965237
2-[[5-(2-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2078590
1-[2,5-Dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2161508
4-[5-[[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
CID 2380862
4-[[5-(2-Methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 2526869
5-[[4-(4-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2532461
4-[[5-(4-Methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2392016

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2107694) is 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is COc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is QUXWTMQJDHYQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-24-17-10-6-5-9-16(17)23-13-20-22-19(23)26-12-15-11-25-18(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[[4-(2-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 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2107694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).