N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide

C26H26N4O2S — CID 44615171

IUPACN-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(N/N=C/c3ccc(C(C)(C)C)cc3)sc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H26N4O2S/c1-17-7-11-19(12-8-17)22-24(29-23(31)21-6-5-15-32-21)33-25(28-22)30-27-16-18-9-13-20(14-10-18)26(2,3)4/h5-16H,1-4H3,(H,28,30)(H,29,31)/b27-16+
InChIKeyGDKZZUMVLIIYQC-JVWAILMASA-N
MW458.59 g/mol
LogP6.71
Rot. Bonds6

About N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide

N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 44615171) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID44615171
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(N/N=C/c3ccc(C(C)(C)C)cc3)sc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H26N4O2S/c1-17-7-11-19(12-8-17)22-24(29-23(31)21-6-5-15-32-21)33-25(28-22)30-27-16-18-9-13-20(14-10-18)26(2,3)4/h5-16H,1-4H3,(H,28,30)(H,29,31)/b27-16+
InChIKeyGDKZZUMVLIIYQC-JVWAILMASA-N
XLogP6.71
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide
CID 27350378
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]-4-fluorobenzamide
CID 40849790
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868500
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476
N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 3722954
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868480
N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 135555294
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 74170709

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (CID 44615171) is N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is Cc1ccc(-c2nc(N/N=C/c3ccc(C(C)(C)C)cc3)sc2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is GDKZZUMVLIIYQC-JVWAILMASA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-17-7-11-19(12-8-17)22-24(29-23(31)21-6-5-15-32-21)33-25(28-22)30-27-16-18-9-13-20(14-10-18)26(2,3)4/h5-16H,1-4H3,(H,28,30)(H,29,31)/b27-16+.
What are the key properties of N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 44615171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).