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

C21H23N3O3S — CID 110532625

IUPAC4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)ccc1OC
InChIInChI=1S/C21H23N3O3S/c1-4-11-27-20-12-15(9-10-19(20)26-3)13-22-24-21-23-17(14-28-21)16-7-5-6-8-18(16)25-2/h5-10,12-14H,4,11H2,1-3H3,(H,23,24)/b22-13-
InChIKeyUWUYMZSBDULNAB-XKZIYDEJSA-N
MW397.50 g/mol
LogP5.06
Rot. Bonds9

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

4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110532625) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID110532625
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)ccc1OC
InChIInChI=1S/C21H23N3O3S/c1-4-11-27-20-12-15(9-10-19(20)26-3)13-22-24-21-23-17(14-28-21)16-7-5-6-8-18(16)25-2/h5-10,12-14H,4,11H2,1-3H3,(H,23,24)/b22-13-
InChIKeyUWUYMZSBDULNAB-XKZIYDEJSA-N
XLogP5.06
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534182
4-(3,4-dimethylphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110532766
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 40548174
N-[(Z)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylideneamino]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 110529774
2-chloro-6-ethoxy-4-[(Z)-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136781703
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531775
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578842
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579122

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 110532625) is 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is CCCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)ccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is UWUYMZSBDULNAB-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-11-27-20-12-15(9-10-19(20)26-3)13-22-24-21-23-17(14-28-21)16-7-5-6-8-18(16)25-2/h5-10,12-14H,4,11H2,1-3H3,(H,23,24)/b22-13-.
What are the key properties of 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 397.50 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).