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

C18H19N3O2S2 — CID 110534182

IUPACN-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCCCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)ccc1OC
InChIInChI=1S/C18H19N3O2S2/c1-3-8-23-16-10-13(6-7-15(16)22-2)11-19-21-18-20-14(12-25-18)17-5-4-9-24-17/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)/b19-11-
InChIKeyGTOVWEBCFCOSQP-ODLFYWEKSA-N
MW373.50 g/mol
LogP5.11
Rot. Bonds8

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

N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 110534182) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID110534182
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCCCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)ccc1OC
InChIInChI=1S/C18H19N3O2S2/c1-3-8-23-16-10-13(6-7-15(16)22-2)11-19-21-18-20-14(12-25-18)17-5-4-9-24-17/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)/b19-11-
InChIKeyGTOVWEBCFCOSQP-ODLFYWEKSA-N
XLogP5.11
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.11
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

4-(2-methoxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110532625
4-(3,4-dimethylphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110532766
4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534082
N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 40548174
2-N-[[3-(2-ethoxyethoxy)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627439
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617952
N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 27438623

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 110534182) is N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is CCCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)ccc1OC.
What is the InChIKey of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is GTOVWEBCFCOSQP-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-3-8-23-16-10-13(6-7-15(16)22-2)11-19-21-18-20-14(12-25-18)17-5-4-9-24-17/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 373.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 110534182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).