[(2,2-diphenylacetyl)amino]thiourea

C15H15N3OS — CID 12636581

IUPAC[(2,2-diphenylacetyl)amino]thiourea
SMILESNC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c16-15(20)18-17-14(19)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)(H3,16,18,20)
InChIKeyHXLWJZIWRGKFGL-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.68
Rot. Bonds3

About [(2,2-diphenylacetyl)amino]thiourea

[(2,2-diphenylacetyl)amino]thiourea (PubChem CID 12636581) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [(2,2-diphenylacetyl)amino]thiourea.

Molecular Properties

Compound Name[(2,2-diphenylacetyl)amino]thiourea
PubChem CID12636581
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[(2,2-diphenylacetyl)amino]thiourea
SMILESNC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c16-15(20)18-17-14(19)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)(H3,16,18,20)
InChIKeyHXLWJZIWRGKFGL-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
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

N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
CID 4923946
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-iodobenzamide
CID 3523057
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
CID 3770806
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
benzamidothiourea
CID 781748
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478452
N'-(2,2-diphenylacetyl)-2-propan-2-yloxybenzohydrazide
CID 17045646
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986

Frequently Asked Questions

What is the IUPAC name of [(2,2-diphenylacetyl)amino]thiourea?
The IUPAC name of [(2,2-diphenylacetyl)amino]thiourea (CID 12636581) is [(2,2-diphenylacetyl)amino]thiourea.
What is the SMILES notation for [(2,2-diphenylacetyl)amino]thiourea?
The canonical SMILES for [(2,2-diphenylacetyl)amino]thiourea is NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2,2-diphenylacetyl)amino]thiourea?
The InChIKey is HXLWJZIWRGKFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-15(20)18-17-14(19)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)(H3,16,18,20).
What are the key properties of [(2,2-diphenylacetyl)amino]thiourea?
[(2,2-diphenylacetyl)amino]thiourea has a molecular weight of 285.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-diphenylacetyl)amino]thiourea is sourced from PubChem (CID 12636581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).