N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C19H18N4O2S — CID 135558950

IUPACN-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H18N4O2S/c1-12-3-7-15(8-4-12)17-18(21-13(2)24)26-19(22-17)23-20-11-14-5-9-16(25)10-6-14/h3-11,25H,1-2H3,(H,21,24)(H,22,23)/b20-11+
InChIKeyHYMGLVAWFCAYOC-RGVLZGJSSA-N
MW366.45 g/mol
LogP4.23
Rot. Bonds5

About N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 135558950) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID135558950
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H18N4O2S/c1-12-3-7-15(8-4-12)17-18(21-13(2)24)26-19(22-17)23-20-11-14-5-9-16(25)10-6-14/h3-11,25H,1-2H3,(H,21,24)(H,22,23)/b20-11+
InChIKeyHYMGLVAWFCAYOC-RGVLZGJSSA-N
XLogP4.23
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 135558950) is N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is HYMGLVAWFCAYOC-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-3-7-15(8-4-12)17-18(21-13(2)24)26-19(22-17)23-20-11-14-5-9-16(25)10-6-14/h3-11,25H,1-2H3,(H,21,24)(H,22,23)/b20-11+.
What are the key properties of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 135558950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).