N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

C22H24N4O2S — CID 168578951

IUPACN-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H24N4O2S/c1-22(2,3)25-20(27)14-28-18-11-9-16(10-12-18)13-23-26-21-24-19(15-29-21)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyCRMUXHOAQISIQO-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.55
Rot. Bonds7

About N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 168578951) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID168578951
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H24N4O2S/c1-22(2,3)25-20(27)14-28-18-11-9-16(10-12-18)13-23-26-21-24-19(15-29-21)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyCRMUXHOAQISIQO-UHFFFAOYSA-N
XLogP4.55
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.55
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

methyl 4-[2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethoxy]benzoate
CID 168577769
4-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577559
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
N-[[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577436
N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168579354
N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126003683
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 73384910
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
CID 168578721

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (CID 168578951) is N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is CRMUXHOAQISIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-22(2,3)25-20(27)14-28-18-11-9-16(10-12-18)13-23-26-21-24-19(15-29-21)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 408.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 168578951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).