1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea

C10H8N4O3S — CID 3456531

IUPAC1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H8N4O3S/c15-9(12-7-4-2-1-3-5-7)13-10-11-6-8(18-10)14(16)17/h1-6H,(H2,11,12,13,15)
InChIKeyNQMVNYIMBARVFB-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.70
Rot. Bonds3

About 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea

1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 3456531) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID3456531
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H8N4O3S/c15-9(12-7-4-2-1-3-5-7)13-10-11-6-8(18-10)14(16)17/h1-6H,(H2,11,12,13,15)
InChIKeyNQMVNYIMBARVFB-UHFFFAOYSA-N
XLogP2.70
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea 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

Triazole, 3j
CID 25196726
Triazole, 3c
CID 25196503
Triazole, 3k
CID 25196728
Triazole, 3l
CID 25196729
3-Hydroxy-5-[(5-nitrothiazol-2-yl)mercapto]-4-phenyl-1,2,4-triazole
CID 22132858
N-(5-((4-(Hydroxy(oxido)amino)phenyl)thio)-1,3-thiazol-2-yl)acetamide
CID 251939
Propenamide, 3-(4-nitrophenyl)-N-(5-nitro-2-thiazolyl)-
CID 5290670
1-(5-Isopropyl-thiazol-2-yl)-3-phenyl-urea
CID 9881657
2-(5-nitropyridin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 4912342
Benzenamine, N,N-diethyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]-
CID 104718
2-[4-(4-nitrophenyl)-1-piperazinyl]-N-1,3-thiazol-2-ylacetamide
CID 2888250
N-(4-methyl-1,3-thiazol-2-yl)-N'-(2-nitrophenyl)urea
CID 2950184

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea (CID 3456531) is 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is NQMVNYIMBARVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-9(12-7-4-2-1-3-5-7)13-10-11-6-8(18-10)14(16)17/h1-6H,(H2,11,12,13,15).
What are the key properties of 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea?
1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 264.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 3456531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).