1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea

C15H17N3OS — CID 6263985

IUPAC1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea
SMILESC/C(=N/NC(=S)NCc1ccccc1)c1ccc(C)o1
InChIInChI=1S/C15H17N3OS/c1-11-8-9-14(19-11)12(2)17-18-15(20)16-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,18,20)/b17-12-
InChIKeySZLBLKNBROKXFI-ATVHPVEESA-N
MW287.39 g/mol
LogP2.98
Rot. Bonds4

About 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea

1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea (PubChem CID 6263985) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea
PubChem CID6263985
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea
SMILESC/C(=N/NC(=S)NCc1ccccc1)c1ccc(C)o1
InChIInChI=1S/C15H17N3OS/c1-11-8-9-14(19-11)12(2)17-18-15(20)16-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,18,20)/b17-12-
InChIKeySZLBLKNBROKXFI-ATVHPVEESA-N
XLogP2.98
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
CID 3473195
1-benzyl-3-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea
CID 6039280
1-benzyl-3-(ethylideneamino)thiourea
CID 171138414
1-benzyl-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]thiourea
CID 4066207
1-benzyl-3-[(Z)-1-(3-methoxyphenyl)ethylideneamino]thiourea
CID 7933855
1-benzyl-3-[1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 4595010
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-benzyl-3-(1-cyclohexylethylideneamino)thiourea
CID 4083205
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(furan-2-yl)ethylideneamino]thiourea
CID 9213380
1-benzyl-3-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]thiourea
CID 8826307
1-benzyl-3-[(Z)-(3-methyl-1-phenylbutylidene)amino]thiourea
CID 7612843

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea?
The IUPAC name of 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea (CID 6263985) is 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea.
What is the SMILES notation for 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea?
The canonical SMILES for 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea is C/C(=N/NC(=S)NCc1ccccc1)c1ccc(C)o1.
What is the InChIKey of 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea?
The InChIKey is SZLBLKNBROKXFI-ATVHPVEESA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-8-9-14(19-11)12(2)17-18-15(20)16-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,18,20)/b17-12-.
What are the key properties of 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea?
1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea has a molecular weight of 287.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea is sourced from PubChem (CID 6263985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).