1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea

C18H21N5O2S — CID 55350809

IUPAC1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NNC(=S)NCc1ccccc1
InChIInChI=1S/C18H21N5O2S/c1-13(20-17(25)21-15-10-6-3-7-11-15)16(24)22-23-18(26)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,22,24)(H2,19,23,26)(H2,20,21,25)
InChIKeySKSQVVTZXCPFET-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.89
Rot. Bonds5

About 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea

1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea (PubChem CID 55350809) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea
PubChem CID55350809
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NNC(=S)NCc1ccccc1
InChIInChI=1S/C18H21N5O2S/c1-13(20-17(25)21-15-10-6-3-7-11-15)16(24)22-23-18(26)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,22,24)(H2,19,23,26)(H2,20,21,25)
InChIKeySKSQVVTZXCPFET-UHFFFAOYSA-N
XLogP1.89
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
N-[(2S)-1-[2-(benzylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 40706020
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
(2S)-N-benzyl-3,3-dimethyl-2-(phenylcarbamothioylamino)butanamide
CID 102278044
(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
CID 94652235
2-chloro-N-[(2S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 8942314
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
2-acetamido-N-benzyl-2-(phenylcarbamothioylamino)acetamide
CID 10021177
(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
CID 102092289
N-[1-[2-(benzylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 18228792
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea (CID 55350809) is 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea is CC(NC(=O)Nc1ccccc1)C(=O)NNC(=S)NCc1ccccc1.
What is the InChIKey of 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea?
The InChIKey is SKSQVVTZXCPFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13(20-17(25)21-15-10-6-3-7-11-15)16(24)22-23-18(26)19-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,22,24)(H2,19,23,26)(H2,20,21,25).
What are the key properties of 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea?
1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea has a molecular weight of 371.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea is sourced from PubChem (CID 55350809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).