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

C22H25N3OS — CID 168577123

IUPACN-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCOCc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H25N3OS/c1-2-3-7-14-26-16-19-12-10-18(11-13-19)15-23-25-22-24-21(17-27-22)20-8-5-4-6-9-20/h4-6,8-13,15,17H,2-3,7,14,16H2,1H3,(H,24,25)
InChIKeyLYSPVIYXHJUVCB-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.96
Rot. Bonds10

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

N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577123) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577123
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCOCc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H25N3OS/c1-2-3-7-14-26-16-19-12-10-18(11-13-19)15-23-25-22-24-21(17-27-22)20-8-5-4-6-9-20/h4-6,8-13,15,17H,2-3,7,14,16H2,1H3,(H,24,25)
InChIKeyLYSPVIYXHJUVCB-UHFFFAOYSA-N
XLogP5.96
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 ≤ 55.96
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-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577042
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577150
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
N-[[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577436
4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577322
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577123) is N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCCCCOCc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LYSPVIYXHJUVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-2-3-7-14-26-16-19-12-10-18(11-13-19)15-23-25-22-24-21(17-27-22)20-8-5-4-6-9-20/h4-6,8-13,15,17H,2-3,7,14,16H2,1H3,(H,24,25).
What are the key properties of N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 379.53 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).