1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea

C16H15N5O4S4 — CID 4552226

IUPAC1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C16H15N5O4S4/c17-28(22,23)13-5-1-11(2-6-13)19-15(26)20-12-3-7-14(8-4-12)29(24,25)21-16-18-9-10-27-16/h1-10H,(H,18,21)(H2,17,22,23)(H2,19,20,26)
InChIKeyLRGWVGLHVAPOHM-UHFFFAOYSA-N
MW469.60 g/mol
LogP2.40
Rot. Bonds6

About 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea

1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea (PubChem CID 4552226) has the molecular formula C16H15N5O4S4 and a molecular weight of 469.60 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
PubChem CID4552226
Molecular FormulaC16H15N5O4S4
Molecular Weight469.60 g/mol
Exact Mass469.00
IUPAC Name1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C16H15N5O4S4/c17-28(22,23)13-5-1-11(2-6-13)19-15(26)20-12-3-7-14(8-4-12)29(24,25)21-16-18-9-10-27-16/h1-10H,(H,18,21)(H2,17,22,23)(H2,19,20,26)
InChIKeyLRGWVGLHVAPOHM-UHFFFAOYSA-N
XLogP2.40
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.60
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Sulfathiazole
CID 5340
Acetylsulfathiazole
CID 67183
Sodium sulfathiazole
CID 12285822
1-Phenyl-3-(2-thiazolyl)-2-thiourea
CID 719408
2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
4-((5-Isopropyl-1,3-thiazol-2-YL)amino)benzenesulfonamide
CID 5327097
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
Thiazosulfone
CID 10124
Nitrosulfathiazole
CID 10127
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020
4-bromo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 1891999

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea (CID 4552226) is 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea is NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea?
The InChIKey is LRGWVGLHVAPOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S4/c17-28(22,23)13-5-1-11(2-6-13)19-15(26)20-12-3-7-14(8-4-12)29(24,25)21-16-18-9-10-27-16/h1-10H,(H,18,21)(H2,17,22,23)(H2,19,20,26).
What are the key properties of 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea?
1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea has a molecular weight of 469.60 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 4552226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).