[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea

C9H12N4O3S — CID 18164638

IUPAC[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H12N4O3S/c1-5(11-9(10)16)7(14)12-13-8(15)6-3-2-4-17-6/h2-5H,1H3,(H,12,14)(H,13,15)(H3,10,11,16)
InChIKeyDEYHIHTVGKMDPS-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.43
Rot. Bonds3

About [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea

[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea (PubChem CID 18164638) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea.

Molecular Properties

Compound Name[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
PubChem CID18164638
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H12N4O3S/c1-5(11-9(10)16)7(14)12-13-8(15)6-3-2-4-17-6/h2-5H,1H3,(H,12,14)(H,13,15)(H3,10,11,16)
InChIKeyDEYHIHTVGKMDPS-UHFFFAOYSA-N
XLogP-0.43
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea 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

N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55703165
N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115884647
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51299441
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea?
The IUPAC name of [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea (CID 18164638) is [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea.
What is the SMILES notation for [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea?
The canonical SMILES for [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea is CC(NC(N)=O)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea?
The InChIKey is DEYHIHTVGKMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-5(11-9(10)16)7(14)12-13-8(15)6-3-2-4-17-6/h2-5H,1H3,(H,12,14)(H,13,15)(H3,10,11,16).
What are the key properties of [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea?
[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea has a molecular weight of 256.29 g/mol, XLogP of -0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea is sourced from PubChem (CID 18164638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).