1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea

C15H15ClN4OS — CID 832889

IUPAC1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea
SMILESCc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN4OS/c1-10-2-6-13(7-3-10)18-15(22)20-19-14(21)17-12-8-4-11(16)5-9-12/h2-9H,1H3,(H2,17,19,21)(H2,18,20,22)
InChIKeyJLRHYIUALGZJOP-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.67
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea

1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea (PubChem CID 832889) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea
PubChem CID832889
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea
SMILESCc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN4OS/c1-10-2-6-13(7-3-10)18-15(22)20-19-14(21)17-12-8-4-11(16)5-9-12/h2-9H,1H3,(H2,17,19,21)(H2,18,20,22)
InChIKeyJLRHYIUALGZJOP-UHFFFAOYSA-N
XLogP3.67
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
1-methyl-3-[(4-methylphenyl)carbamothioylamino]thiourea
CID 8001100
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758
1-phenyl-3-[(phenylcarbamothioylamino)carbamothioylamino]urea
CID 102154024
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(4-chlorophenyl)-3-(2,4-dimethylanilino)thiourea
CID 8668782
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279
1-(4-methylphenyl)-3-(octanoylamino)thiourea
CID 86107669

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea (CID 832889) is 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea is Cc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea?
The InChIKey is JLRHYIUALGZJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-10-2-6-13(7-3-10)18-15(22)20-19-14(21)17-12-8-4-11(16)5-9-12/h2-9H,1H3,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea?
1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea has a molecular weight of 334.83 g/mol, XLogP of 3.67, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea is sourced from PubChem (CID 832889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).