N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C22H25N3OS — CID 110533759

IUPACN-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCCCOc1cccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1
InChIInChI=1S/C22H25N3OS/c1-5-9-26-19-8-6-7-18(12-19)13-23-25-22-24-20(14-27-22)21-16(3)10-15(2)11-17(21)4/h6-8,10-14H,5,9H2,1-4H3,(H,24,25)/b23-13-
InChIKeyKILYPBYDIFIYIS-QRVIBDJDSA-N
MW379.53 g/mol
LogP5.97
Rot. Bonds7

About N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 110533759) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID110533759
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCCCOc1cccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1
InChIInChI=1S/C22H25N3OS/c1-5-9-26-19-8-6-7-18(12-19)13-23-25-22-24-20(14-27-22)21-16(3)10-15(2)11-17(21)4/h6-8,10-14H,5,9H2,1-4H3,(H,24,25)/b23-13-
InChIKeyKILYPBYDIFIYIS-QRVIBDJDSA-N
XLogP5.97
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(2,4-dimethylphenyl)-N-[(Z)-(3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534703
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110535752
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110529905
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532880
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
N-[(2-methyl-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577174
4-methyl-N-[[3-(2-phenylethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618417
N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617096
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 110533759) is N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is CCCOc1cccc(/C=N\Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1.
What is the InChIKey of N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KILYPBYDIFIYIS-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-5-9-26-19-8-6-7-18(12-19)13-23-25-22-24-20(14-27-22)21-16(3)10-15(2)11-17(21)4/h6-8,10-14H,5,9H2,1-4H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 379.53 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110533759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).