4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione

C19H15N5OS2 — CID 155549207

IUPAC4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESCc1nc(-c2ccccc2)sc1-c1n[nH]c(=S)n1/N=C/c1ccccc1O
InChIInChI=1S/C19H15N5OS2/c1-12-16(27-18(21-12)13-7-3-2-4-8-13)17-22-23-19(26)24(17)20-11-14-9-5-6-10-15(14)25/h2-11,25H,1H3,(H,23,26)/b20-11+
InChIKeyQJXZYUTTXVAXCV-RGVLZGJSSA-N
MW393.50 g/mol
LogP4.63
Rot. Bonds4

About 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione

4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 155549207) has the molecular formula C19H15N5OS2 and a molecular weight of 393.50 g/mol. Its IUPAC name is 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
PubChem CID155549207
Molecular FormulaC19H15N5OS2
Molecular Weight393.50 g/mol
Exact Mass393.07
IUPAC Name4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESCc1nc(-c2ccccc2)sc1-c1n[nH]c(=S)n1/N=C/c1ccccc1O
InChIInChI=1S/C19H15N5OS2/c1-12-16(27-18(21-12)13-7-3-2-4-8-13)17-22-23-19(26)24(17)20-11-14-9-5-6-10-15(14)25/h2-11,25H,1H3,(H,23,26)/b20-11+
InChIKeyQJXZYUTTXVAXCV-RGVLZGJSSA-N
XLogP4.63
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784
4-(2-Hydroxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
CID 135923310
3-{(E)-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 9582762
4-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 155515785
2-[(E)-1-[2-[4-[2-(2-hydroxyphenyl)ethynyl]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155525204
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 155526206
4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 155538298
4-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 155546932
4-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 162649370
4-[(Z)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 162670065
2-[(E)-1-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 172470124
3-[[(5-Methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2792226

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione (CID 155549207) is 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione is Cc1nc(-c2ccccc2)sc1-c1n[nH]c(=S)n1/N=C/c1ccccc1O.
What is the InChIKey of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is QJXZYUTTXVAXCV-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15N5OS2/c1-12-16(27-18(21-12)13-7-3-2-4-8-13)17-22-23-19(26)24(17)20-11-14-9-5-6-10-15(14)25/h2-11,25H,1H3,(H,23,26)/b20-11+.
What are the key properties of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 393.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 155549207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).