N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide

C29H30N4OS — CID 27350378

IUPACN-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide
SMILESCc1ccc(-c2nc(N/N=C\c3ccc(C(C)(C)C)cc3)sc2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C29H30N4OS/c1-20-10-14-23(15-11-20)26-27(31-25(34)18-21-8-6-5-7-9-21)35-28(32-26)33-30-19-22-12-16-24(17-13-22)29(2,3)4/h5-17,19H,18H2,1-4H3,(H,31,34)(H,32,33)/b30-19-
InChIKeyJMEDJYVGFWAHSW-FSGOGVSDSA-N
MW482.65 g/mol
LogP7.04
Rot. Bonds7

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

N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide (PubChem CID 27350378) has the molecular formula C29H30N4OS and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide
PubChem CID27350378
Molecular FormulaC29H30N4OS
Molecular Weight482.65 g/mol
Exact Mass482.21
IUPAC NameN-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide
SMILESCc1ccc(-c2nc(N/N=C\c3ccc(C(C)(C)C)cc3)sc2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C29H30N4OS/c1-20-10-14-23(15-11-20)26-27(31-25(34)18-21-8-6-5-7-9-21)35-28(32-26)33-30-19-22-12-16-24(17-13-22)29(2,3)4/h5-17,19H,18H2,1-4H3,(H,31,34)(H,32,33)/b30-19-
InChIKeyJMEDJYVGFWAHSW-FSGOGVSDSA-N
XLogP7.04
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 44615171
N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]-4-fluorobenzamide
CID 40849790
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 3722954
N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 135555294
4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 135956722
N-[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 135956718
ethyl 2-[4-(4-bromophenyl)-2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]-3-hydroxybut-2-enoate
CID 169409654
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530926
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide (CID 27350378) is N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide is Cc1ccc(-c2nc(N/N=C\c3ccc(C(C)(C)C)cc3)sc2NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide?
The InChIKey is JMEDJYVGFWAHSW-FSGOGVSDSA-N. The full InChI is InChI=1S/C29H30N4OS/c1-20-10-14-23(15-11-20)26-27(31-25(34)18-21-8-6-5-7-9-21)35-28(32-26)33-30-19-22-12-16-24(17-13-22)29(2,3)4/h5-17,19H,18H2,1-4H3,(H,31,34)(H,32,33)/b30-19-.
What are the key properties of N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide?
N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide has a molecular weight of 482.65 g/mol, XLogP of 7.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 27350378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).