2-(benzylcarbamothioylamino)acetamide

C10H13N3OS — CID 123762736

IUPAC2-(benzylcarbamothioylamino)acetamide
SMILESNC(=O)CNC(=S)NCc1ccccc1
InChIInChI=1S/C10H13N3OS/c11-9(14)7-13-10(15)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H2,12,13,15)
InChIKeyABRLHHPAAHUUEU-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.14
Rot. Bonds4

About 2-(benzylcarbamothioylamino)acetamide

2-(benzylcarbamothioylamino)acetamide (PubChem CID 123762736) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(benzylcarbamothioylamino)acetamide.

Molecular Properties

Compound Name2-(benzylcarbamothioylamino)acetamide
PubChem CID123762736
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-(benzylcarbamothioylamino)acetamide
SMILESNC(=O)CNC(=S)NCc1ccccc1
InChIInChI=1S/C10H13N3OS/c11-9(14)7-13-10(15)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H2,12,13,15)
InChIKeyABRLHHPAAHUUEU-UHFFFAOYSA-N
XLogP0.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.14
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'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
benzene;benzylurea;hydrazine
CID 68793593
2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid
CID 155490415
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
N-(benzylcarbamothioyl)benzamide
CID 700976
(4-phenylphenyl)methylcarbamothioylurea
CID 175709180
sodium;benzylthiourea;hydride
CID 173079334
N'-benzyloxamide
CID 561416
1-benzyl-3-propylthiourea
CID 12725927
N'-benzylbutanediamide
CID 4682951
2-(benzylcarbamothioylamino)-N-(3,4-difluorophenyl)acetamide
CID 8771439

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamothioylamino)acetamide?
The IUPAC name of 2-(benzylcarbamothioylamino)acetamide (CID 123762736) is 2-(benzylcarbamothioylamino)acetamide.
What is the SMILES notation for 2-(benzylcarbamothioylamino)acetamide?
The canonical SMILES for 2-(benzylcarbamothioylamino)acetamide is NC(=O)CNC(=S)NCc1ccccc1.
What is the InChIKey of 2-(benzylcarbamothioylamino)acetamide?
The InChIKey is ABRLHHPAAHUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-9(14)7-13-10(15)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H2,12,13,15).
What are the key properties of 2-(benzylcarbamothioylamino)acetamide?
2-(benzylcarbamothioylamino)acetamide has a molecular weight of 223.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamothioylamino)acetamide is sourced from PubChem (CID 123762736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).