1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea

C15H14ClN3OS — CID 62103362

IUPAC1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
SMILESCc1ccc(C(N)=S)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3OS/c1-9-2-3-10(14(17)21)8-13(9)19-15(20)18-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyUBPXIZMTHYCTGL-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.93
Rot. Bonds3

About 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea

1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea (PubChem CID 62103362) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
PubChem CID62103362
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
SMILESCc1ccc(C(N)=S)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3OS/c1-9-2-3-10(14(17)21)8-13(9)19-15(20)18-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyUBPXIZMTHYCTGL-UHFFFAOYSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
CID 39186247
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
3-bromo-N-(5-carbamothioyl-2-methylphenyl)-5-chlorobenzamide
CID 107938969
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamothioylamino]-4-methylphenyl]thiourea
CID 6481333

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea (CID 62103362) is 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea is Cc1ccc(C(N)=S)cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea?
The InChIKey is UBPXIZMTHYCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-9-2-3-10(14(17)21)8-13(9)19-15(20)18-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea?
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea has a molecular weight of 319.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 62103362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).