[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea

C12H11N3OS — CID 5337698

IUPAC[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3OS/c13-12(17)15-14-8-10-6-7-11(16-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,17)/b14-8+
InChIKeyFIPAAZKBGLEFFX-RIYZIHGNSA-N
MW245.31 g/mol
LogP2.11
Rot. Bonds3

About [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea

[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea (PubChem CID 5337698) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
PubChem CID5337698
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3OS/c13-12(17)15-14-8-10-6-7-11(16-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,17)/b14-8+
InChIKeyFIPAAZKBGLEFFX-RIYZIHGNSA-N
XLogP2.11
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.11
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

4-[5-[(Methylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid
CID 5873067
5-(3,4-Dichlorophenyl)-2-furaldehyde thiosemicarbazone
CID 5342491
({[5-(4-Chlorophenyl)furan-2-yl]methylidene}amino)urea
CID 9563572
(2E)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazinecarbothioamide
CID 9563573
[[5-(p-Tolyl)-2-furyl]methyleneamino]thiourea
CID 6882801
5-Phenyl-2-furaldehyde semicarbazone
CID 6862724
[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 5344052
4-({[5-(4-chlorophenyl)-2-furyl]methylene}amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 9558615
2-Furaldehyde, 5-phenyl-, oxime
CID 5412191
[(E)-[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 5343248
1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 5349793
(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazinecarbothioamide
CID 6870109

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
The IUPAC name of [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea (CID 5337698) is [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea is NC(=S)N/N=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
The InChIKey is FIPAAZKBGLEFFX-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-12(17)15-14-8-10-6-7-11(16-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,17)/b14-8+.
What are the key properties of [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea has a molecular weight of 245.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 5337698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).