1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea

C19H17N3OS — CID 4046043

IUPAC1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
SMILESCc1ccc(NC(=S)NN=Cc2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3OS/c1-14-7-9-16(10-8-14)21-19(24)22-20-13-17-11-12-18(23-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,21,22,24)
InChIKeyYLXPINUAQWWTQS-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.58
Rot. Bonds4

About 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea

1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea (PubChem CID 4046043) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
PubChem CID4046043
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
SMILESCc1ccc(NC(=S)NN=Cc2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3OS/c1-14-7-9-16(10-8-14)21-19(24)22-20-13-17-11-12-18(23-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,21,22,24)
InChIKeyYLXPINUAQWWTQS-UHFFFAOYSA-N
XLogP4.58
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.58
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

[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
1-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1209484
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1101255
1-[(E)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]-3-phenylthiourea
CID 6870116
1-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 3104270
1-(4-propan-2-ylphenyl)-3-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
CID 42992296
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
1-(4-methylphenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 5418895
1-(4-fluorophenyl)-3-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 2725401
1-(2,6-dimethylphenyl)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 7930544
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
CID 94829795
N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 6871551

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea (CID 4046043) is 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea is Cc1ccc(NC(=S)NN=Cc2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea?
The InChIKey is YLXPINUAQWWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14-7-9-16(10-8-14)21-19(24)22-20-13-17-11-12-18(23-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,21,22,24).
What are the key properties of 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea?
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea has a molecular weight of 335.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 4046043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).