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

C21H23N3OS — CID 42336780

IUPACN-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C21H23N3OS/c1-2-3-7-14-25-19-12-10-17(11-13-19)15-22-24-21-23-20(16-26-21)18-8-5-4-6-9-18/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,23,24)/b22-15-
InChIKeyDMAOCHILYOKXBU-JCMHNJIXSA-N
MW365.50 g/mol
LogP5.83
Rot. Bonds9

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

N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 42336780) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID42336780
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C21H23N3OS/c1-2-3-7-14-25-19-12-10-17(11-13-19)15-22-24-21-23-20(16-26-21)18-8-5-4-6-9-18/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,23,24)/b22-15-
InChIKeyDMAOCHILYOKXBU-JCMHNJIXSA-N
XLogP5.83
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.83
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-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
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-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577123
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577042
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(4-hexoxyphenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 26012780
4-(3-nitrophenyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110338680
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
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 42336780) is N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCCCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is DMAOCHILYOKXBU-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-2-3-7-14-25-19-12-10-17(11-13-19)15-22-24-21-23-20(16-26-21)18-8-5-4-6-9-18/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,23,24)/b22-15-.
What are the key properties of N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 365.50 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42336780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).