1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea

C13H11N5OS — CID 71198394

IUPAC1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILES[H]/N=N/c1ccc(C#N)cc1NC(=O)NCc1cccs1
InChIInChI=1S/C13H11N5OS/c14-7-9-3-4-11(18-15)12(6-9)17-13(19)16-8-10-2-1-5-20-10/h1-6,15H,8H2,(H2,16,17,19)/b18-15+
InChIKeyJPVOPCFNNJRHOM-OBGWFSINSA-N
MW285.33 g/mol
LogP3.60
Rot. Bonds4

About 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea

1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 71198394) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID71198394
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILES[H]/N=N/c1ccc(C#N)cc1NC(=O)NCc1cccs1
InChIInChI=1S/C13H11N5OS/c14-7-9-3-4-11(18-15)12(6-9)17-13(19)16-8-10-2-1-5-20-10/h1-6,15H,8H2,(H2,16,17,19)/b18-15+
InChIKeyJPVOPCFNNJRHOM-OBGWFSINSA-N
XLogP3.60
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60569804
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60569654
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9380947
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
4-chloro-2-(thiophen-2-ylmethylcarbamoylamino)benzoic acid
CID 61195227
N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
CID 134061199
1-[(4-cyanophenyl)methyl]-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 47172039
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea (CID 71198394) is 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea is [H]/N=N/c1ccc(C#N)cc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is JPVOPCFNNJRHOM-OBGWFSINSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-7-9-3-4-11(18-15)12(6-9)17-13(19)16-8-10-2-1-5-20-10/h1-6,15H,8H2,(H2,16,17,19)/b18-15+.
What are the key properties of 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea?
1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 285.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71198394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).