N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C18H23N3O3S — CID 110339897

IUPACN-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1OCC
InChIInChI=1S/C18H23N3O3S/c1-5-9-24-15-8-7-14(10-16(15)23-6-2)11-19-21-18(22)17-12(3)20-13(4)25-17/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,22)/b19-11+
InChIKeyOJCLOGJTXPIRTR-YBFXNURJSA-N
MW361.47 g/mol
LogP3.71
Rot. Bonds8

About N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110339897) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID110339897
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1OCC
InChIInChI=1S/C18H23N3O3S/c1-5-9-24-15-8-7-14(10-16(15)23-6-2)11-19-21-18(22)17-12(3)20-13(4)25-17/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,22)/b19-11+
InChIKeyOJCLOGJTXPIRTR-YBFXNURJSA-N
XLogP3.71
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511360
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110340499
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110338091
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110337729
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 5126791
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126128178

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 110339897) is N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCCOc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1OCC.
What is the InChIKey of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OJCLOGJTXPIRTR-YBFXNURJSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-5-9-24-15-8-7-14(10-16(15)23-6-2)11-19-21-18(22)17-12(3)20-13(4)25-17/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,22)/b19-11+.
What are the key properties of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110339897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).