[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea

C13H13N3OS — CID 5419039

IUPAC[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
SMILESCc1ccc(-c2ccc(/C=N\NC(N)=S)o2)cc1
InChIInChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)12-7-6-11(17-12)8-15-16-13(14)18/h2-8H,1H3,(H3,14,16,18)/b15-8-
InChIKeyOQNMVFPLSUVOOM-NVNXTCNLSA-N
MW259.33 g/mol
LogP2.42
Rot. Bonds3

About [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea

[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea (PubChem CID 5419039) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
PubChem CID5419039
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
SMILESCc1ccc(-c2ccc(/C=N\NC(N)=S)o2)cc1
InChIInChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)12-7-6-11(17-12)8-15-16-13(14)18/h2-8H,1H3,(H3,14,16,18)/b15-8-
InChIKeyOQNMVFPLSUVOOM-NVNXTCNLSA-N
XLogP2.42
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.42
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'}

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Related Compounds

[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
[(E)-[5-(3-fluoro-5-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 142921367
ethyl 4-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 57360938
[(5-methylfuran-2-yl)methylideneamino]thiourea
CID 711000
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 4046043
[[5-(1,3-benzodioxol-5-yl)furan-2-yl]methylideneamino]thiourea
CID 76572375
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
CID 60723528
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
CID 94829795
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890

Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea (CID 5419039) is [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea is Cc1ccc(-c2ccc(/C=N\NC(N)=S)o2)cc1.
What is the InChIKey of [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea?
The InChIKey is OQNMVFPLSUVOOM-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)12-7-6-11(17-12)8-15-16-13(14)18/h2-8H,1H3,(H3,14,16,18)/b15-8-.
What are the key properties of [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea?
[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea has a molecular weight of 259.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea is sourced from PubChem (CID 5419039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).