1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea

C14H15N3OS — CID 4212852

IUPAC1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
SMILESCc1ccc(C=NNC(=O)Nc2ccccc2C)s1
InChIInChI=1S/C14H15N3OS/c1-10-5-3-4-6-13(10)16-14(18)17-15-9-12-8-7-11(2)19-12/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyQPVRNNCMFZZSCP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea

1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea (PubChem CID 4212852) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
PubChem CID4212852
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea
SMILESCc1ccc(C=NNC(=O)Nc2ccccc2C)s1
InChIInChI=1S/C14H15N3OS/c1-10-5-3-4-6-13(10)16-14(18)17-15-9-12-8-7-11(2)19-12/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyQPVRNNCMFZZSCP-UHFFFAOYSA-N
XLogP3.52
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.52
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'}

Analyze 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea 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

2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
N,N'-bis(2-methylphenyl)-2-[(5-methylthiophen-2-yl)methylidene]propanediamide
CID 9446875
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 124548870
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-phenylbutanediamide
CID 6120513
2-(2,6-dimethylphenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 909240

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea (CID 4212852) is 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea is Cc1ccc(C=NNC(=O)Nc2ccccc2C)s1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea?
The InChIKey is QPVRNNCMFZZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-5-3-4-6-13(10)16-14(18)17-15-9-12-8-7-11(2)19-12/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea has a molecular weight of 273.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]urea is sourced from PubChem (CID 4212852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).