(4-phenylphenyl)methylcarbamothioylurea

C15H15N3OS — CID 175709180

IUPAC(4-phenylphenyl)methylcarbamothioylurea
SMILESNC(=O)NC(=S)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15N3OS/c16-14(19)18-15(20)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18,19,20)
InChIKeyUNJRQQRTYHXOLN-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.40
Rot. Bonds3

About (4-phenylphenyl)methylcarbamothioylurea

(4-phenylphenyl)methylcarbamothioylurea (PubChem CID 175709180) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is (4-phenylphenyl)methylcarbamothioylurea.

Molecular Properties

Compound Name(4-phenylphenyl)methylcarbamothioylurea
PubChem CID175709180
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name(4-phenylphenyl)methylcarbamothioylurea
SMILESNC(=O)NC(=S)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15N3OS/c16-14(19)18-15(20)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18,19,20)
InChIKeyUNJRQQRTYHXOLN-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.40
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

N-(benzylcarbamothioyl)benzamide
CID 700976
2-(benzylcarbamothioylamino)acetamide
CID 123762736
N-carbamoyl-3-(4-phenylphenyl)propanamide
CID 173148177
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
benzene;benzylurea;hydrazine
CID 68793593
2-[(4-phenylphenyl)methylamino]oxyacetamide
CID 112673244
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-[(4-methylphenyl)methylcarbamothioyl]-3-phenylpropanamide
CID 46762008
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]benzamide
CID 139663825
(4-phenylphenyl) N-benzylcarbamate
CID 25174478

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methylcarbamothioylurea?
The IUPAC name of (4-phenylphenyl)methylcarbamothioylurea (CID 175709180) is (4-phenylphenyl)methylcarbamothioylurea.
What is the SMILES notation for (4-phenylphenyl)methylcarbamothioylurea?
The canonical SMILES for (4-phenylphenyl)methylcarbamothioylurea is NC(=O)NC(=S)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methylcarbamothioylurea?
The InChIKey is UNJRQQRTYHXOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-14(19)18-15(20)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18,19,20).
What are the key properties of (4-phenylphenyl)methylcarbamothioylurea?
(4-phenylphenyl)methylcarbamothioylurea has a molecular weight of 285.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methylcarbamothioylurea is sourced from PubChem (CID 175709180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).