3-diazo-1-phenyl-1-thiophen-2-ylurea

C11H8N4OS — CID 151516655

IUPAC3-diazo-1-phenyl-1-thiophen-2-ylurea
SMILES[N-]=[N+]=NC(=O)N(c1ccccc1)c1cccs1
InChIInChI=1S/C11H8N4OS/c12-14-13-11(16)15(10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8H
InChIKeyPTPHAFXDGKDPPE-UHFFFAOYSA-N
MW244.28 g/mol
LogP4.32
Rot. Bonds2

About 3-diazo-1-phenyl-1-thiophen-2-ylurea

3-diazo-1-phenyl-1-thiophen-2-ylurea (PubChem CID 151516655) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-diazo-1-phenyl-1-thiophen-2-ylurea.

Molecular Properties

Compound Name3-diazo-1-phenyl-1-thiophen-2-ylurea
PubChem CID151516655
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name3-diazo-1-phenyl-1-thiophen-2-ylurea
SMILES[N-]=[N+]=NC(=O)N(c1ccccc1)c1cccs1
InChIInChI=1S/C11H8N4OS/c12-14-13-11(16)15(10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8H
InChIKeyPTPHAFXDGKDPPE-UHFFFAOYSA-N
XLogP4.32
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
(2-iodophenyl)-thiophen-2-ylcarbamic acid
CID 175420370
N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine
CID 27160257
2-(N-azidoanilino)acetic acid
CID 54355465
benzoyl azide;hydrochloride
CID 174620684
3-[methyl(thiophen-2-yl)amino]benzoic acid
CID 117043052
cobalt;bis(diphenylcarbamic acid)
CID 155679078
N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435357
1,1-diphenylurea
CID 174849888
1-N,8-N-diphenyl-1-N,8-N-dithiophen-2-ylpyrene-1,8-diamine
CID 59309031
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
N-(2-bromophenyl)-N-phenylthiophen-2-amine
CID 155666006

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-phenyl-1-thiophen-2-ylurea?
The IUPAC name of 3-diazo-1-phenyl-1-thiophen-2-ylurea (CID 151516655) is 3-diazo-1-phenyl-1-thiophen-2-ylurea.
What is the SMILES notation for 3-diazo-1-phenyl-1-thiophen-2-ylurea?
The canonical SMILES for 3-diazo-1-phenyl-1-thiophen-2-ylurea is [N-]=[N+]=NC(=O)N(c1ccccc1)c1cccs1.
What is the InChIKey of 3-diazo-1-phenyl-1-thiophen-2-ylurea?
The InChIKey is PTPHAFXDGKDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-14-13-11(16)15(10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 3-diazo-1-phenyl-1-thiophen-2-ylurea?
3-diazo-1-phenyl-1-thiophen-2-ylurea has a molecular weight of 244.28 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-phenyl-1-thiophen-2-ylurea is sourced from PubChem (CID 151516655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).