N-benzyl-2-(carbamothioylamino)acetamide

C10H13N3OS — CID 86103801

IUPACN-benzyl-2-(carbamothioylamino)acetamide
SMILESNC(=S)NCC(=O)NCc1ccccc1
InChIInChI=1S/C10H13N3OS/c11-10(15)13-7-9(14)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H3,11,13,15)
InChIKeyAXYLTSIWFYBLDZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.14
Rot. Bonds4

About N-benzyl-2-(carbamothioylamino)acetamide

N-benzyl-2-(carbamothioylamino)acetamide (PubChem CID 86103801) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-benzyl-2-(carbamothioylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(carbamothioylamino)acetamide
PubChem CID86103801
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-benzyl-2-(carbamothioylamino)acetamide
SMILESNC(=S)NCC(=O)NCc1ccccc1
InChIInChI=1S/C10H13N3OS/c11-10(15)13-7-9(14)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H3,11,13,15)
InChIKeyAXYLTSIWFYBLDZ-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-benzyl-2-hydrazinylacetamide
CID 15514349
sodium;benzylthiourea;hydride
CID 173079334
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
2-(benzylcarbamothioylamino)acetamide
CID 123762736
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
2-amino-N-[2-(benzylamino)-2-oxoethyl]butanediamide
CID 60971806
N'-benzylbutanediamide
CID 4682951
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
benzene;benzylurea;hydrazine
CID 68793593
N-benzyl-2-(methoxyamino)acetamide
CID 60702706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(carbamothioylamino)acetamide?
The IUPAC name of N-benzyl-2-(carbamothioylamino)acetamide (CID 86103801) is N-benzyl-2-(carbamothioylamino)acetamide.
What is the SMILES notation for N-benzyl-2-(carbamothioylamino)acetamide?
The canonical SMILES for N-benzyl-2-(carbamothioylamino)acetamide is NC(=S)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(carbamothioylamino)acetamide?
The InChIKey is AXYLTSIWFYBLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-10(15)13-7-9(14)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H3,11,13,15).
What are the key properties of N-benzyl-2-(carbamothioylamino)acetamide?
N-benzyl-2-(carbamothioylamino)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 N-benzyl-2-(carbamothioylamino)acetamide is sourced from PubChem (CID 86103801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).