1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea

C14H15N3OS — CID 69343878

IUPAC1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea
SMILESCc1ccc(NC(=O)NN=Cc2cccs2)c(C)c1
InChIInChI=1S/C14H15N3OS/c1-10-5-6-13(11(2)8-10)16-14(18)17-15-9-12-4-3-7-19-12/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyWTNDKHJLRBGZNB-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.52
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea

1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea (PubChem CID 69343878) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea
PubChem CID69343878
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea
SMILESCc1ccc(NC(=O)NN=Cc2cccs2)c(C)c1
InChIInChI=1S/C14H15N3OS/c1-10-5-6-13(11(2)8-10)16-14(18)17-15-9-12-4-3-7-19-12/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyWTNDKHJLRBGZNB-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea (CID 69343878) is 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea is Cc1ccc(NC(=O)NN=Cc2cccs2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea?
The InChIKey is WTNDKHJLRBGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-5-6-13(11(2)8-10)16-14(18)17-15-9-12-4-3-7-19-12/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea?
1-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)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-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethylideneamino)urea is sourced from PubChem (CID 69343878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).