1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea

C16H24N4OS — CID 4545514

IUPAC1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea
SMILESCCNC(=S)NN=Cc1ccc(N2CCCCC2)cc1OC
InChIInChI=1S/C16H24N4OS/c1-3-17-16(22)19-18-12-13-7-8-14(11-15(13)21-2)20-9-5-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,17,19,22)
InChIKeyFBDJJOLUOVAHOQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.50
Rot. Bonds5

About 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea

1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea (PubChem CID 4545514) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea
PubChem CID4545514
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea
SMILESCCNC(=S)NN=Cc1ccc(N2CCCCC2)cc1OC
InChIInChI=1S/C16H24N4OS/c1-3-17-16(22)19-18-12-13-7-8-14(11-15(13)21-2)20-9-5-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,17,19,22)
InChIKeyFBDJJOLUOVAHOQ-UHFFFAOYSA-N
XLogP2.50
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3622824
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 7728702
4-hydroxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 126243453
1-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 6269940
N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126246937
4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
CID 126239963
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699
1-[(3,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 4196371
1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 3479357
5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126253070
1-[(Z)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-ethylthiourea
CID 137168318
1-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 110508738

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea (CID 4545514) is 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea is CCNC(=S)NN=Cc1ccc(N2CCCCC2)cc1OC.
What is the InChIKey of 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea?
The InChIKey is FBDJJOLUOVAHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-3-17-16(22)19-18-12-13-7-8-14(11-15(13)21-2)20-9-5-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea?
1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea has a molecular weight of 320.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 4545514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).