N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C22H25N3OS — CID 42337314

IUPACN-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H25N3OS/c1-2-3-4-8-15-26-20-13-11-18(12-14-20)16-23-25-22-24-21(17-27-22)19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15H2,1H3,(H,24,25)/b23-16-
InChIKeyKXUITCUQERPRKR-KQWNVCNZSA-N
MW379.53 g/mol
LogP6.22
Rot. Bonds10

About N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 42337314) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID42337314
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H25N3OS/c1-2-3-4-8-15-26-20-13-11-18(12-14-20)16-23-25-22-24-21(17-27-22)19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15H2,1H3,(H,24,25)/b23-16-
InChIKeyKXUITCUQERPRKR-KQWNVCNZSA-N
XLogP6.22
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
N-[[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577436
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577042
N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577123
N-[(4-hexoxyphenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 26012780
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
4-(3-nitrophenyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110338680
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 42337314) is N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is KXUITCUQERPRKR-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-2-3-4-8-15-26-20-13-11-18(12-14-20)16-23-25-22-24-21(17-27-22)19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15H2,1H3,(H,24,25)/b23-16-.
What are the key properties of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 379.53 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42337314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).