1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea

C16H15N5O3S2 — CID 71466748

IUPAC1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea
SMILESO=C1CN=C(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)N1
InChIInChI=1S/C16H15N5O3S2/c22-14-10-17-15(20-14)21-26(23,24)13-8-6-12(7-9-13)19-16(25)18-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,25)(H2,17,20,21,22)
InChIKeyDXPMAQNBMBUWFN-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.26
Rot. Bonds4

About 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea

1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea (PubChem CID 71466748) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea
PubChem CID71466748
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea
SMILESO=C1CN=C(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)N1
InChIInChI=1S/C16H15N5O3S2/c22-14-10-17-15(20-14)21-26(23,24)13-8-6-12(7-9-13)19-16(25)18-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,25)(H2,17,20,21,22)
InChIKeyDXPMAQNBMBUWFN-UHFFFAOYSA-N
XLogP1.26
TPSA111.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea 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

1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
1-[4-(benzylsulfamoyl)phenyl]-3-phenylthiourea
CID 4928890
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524
1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237672
2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 1296910
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
2-iodo-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5177255
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
1-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 19678783
1-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-(4-sulfamoylphenyl)thiourea
CID 19678782

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea?
The IUPAC name of 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea (CID 71466748) is 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea is O=C1CN=C(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)N1.
What is the InChIKey of 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea?
The InChIKey is DXPMAQNBMBUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c22-14-10-17-15(20-14)21-26(23,24)13-8-6-12(7-9-13)19-16(25)18-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,25)(H2,17,20,21,22).
What are the key properties of 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea?
1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea has a molecular weight of 389.46 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-oxo-1,4-dihydroimidazol-2-yl)sulfamoyl]phenyl]-3-phenylthiourea is sourced from PubChem (CID 71466748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).