1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea

C10H15N3O2S — CID 47428067

IUPAC1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea
SMILESCC(C)CNC(=O)NNC(=O)c1ccsc1
InChIInChI=1S/C10H15N3O2S/c1-7(2)5-11-10(15)13-12-9(14)8-3-4-16-6-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeySUTSYWFVPUOYMV-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea

1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea (PubChem CID 47428067) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea
PubChem CID47428067
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea
SMILESCC(C)CNC(=O)NNC(=O)c1ccsc1
InChIInChI=1S/C10H15N3O2S/c1-7(2)5-11-10(15)13-12-9(14)8-3-4-16-6-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeySUTSYWFVPUOYMV-UHFFFAOYSA-N
XLogP1.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

thiophene-3-carboxylic acid N'-isopropyl-hydrazide
CID 59642162
1-Methyl-3-(thiophene-3-carbonylamino)thiourea
CID 2820647
Amino-(ethylcarbamoyl)-propyl-(thiophene-3-carbonyl)azanium
CID 53953370
4-Ethyl-2-propyl-1-(3-thenoyl) semicarbazide
CID 54099638
N'-(3-methylbut-2-enoyl)thiophene-3-carbohydrazide
CID 140662677
N-(1-aminoethyl)thiophene-3-carboxamide
CID 173053680
1-Butyl-3-(thiophene-3-carbonylamino)thiourea
CID 4092470
1-[(2S)-2-methylheptyl]-3-(thiophene-3-carbonylamino)thiourea
CID 9328300
1-Tert-butyl-3-(thiophene-3-carbonylamino)thiourea
CID 9426016
2-oxo-N-propan-2-yl-2-[2-(thiophene-3-carbonyl)hydrazinyl]acetamide
CID 9505438
N-cyclopropyl-2-oxo-2-[2-(thiophene-3-carbonyl)hydrazinyl]acetamide
CID 9514186
N-[4-(2-methylpropylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18153554

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea (CID 47428067) is 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea is CC(C)CNC(=O)NNC(=O)c1ccsc1.
What is the InChIKey of 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea?
The InChIKey is SUTSYWFVPUOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(2)5-11-10(15)13-12-9(14)8-3-4-16-6-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea?
1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea has a molecular weight of 241.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(thiophene-3-carbonylamino)urea is sourced from PubChem (CID 47428067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).