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

C22H25N3OS — CID 110338681

IUPAC5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C22H25N3OS/c1-3-4-8-15-26-20-13-11-18(12-14-20)16-23-25-22-24-21(17(2)27-22)19-9-6-5-7-10-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,24,25)/b23-16+
InChIKeyJWFFAPQPLWGJCE-XQNSMLJCSA-N
MW379.53 g/mol
LogP6.13
Rot. Bonds9

About 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 110338681) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID110338681
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C22H25N3OS/c1-3-4-8-15-26-20-13-11-18(12-14-20)16-23-25-22-24-21(17(2)27-22)19-9-6-5-7-10-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,24,25)/b23-16+
InChIKeyJWFFAPQPLWGJCE-XQNSMLJCSA-N
XLogP6.13
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.13
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-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
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-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110532113
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530926
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3664485
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 110338681) is 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is JWFFAPQPLWGJCE-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-3-4-8-15-26-20-13-11-18(12-14-20)16-23-25-22-24-21(17(2)27-22)19-9-6-5-7-10-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,24,25)/b23-16+.
What are the key properties of 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 379.53 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110338681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).