1-pent-4-enyl-3-(thiadiazol-5-yl)urea

C8H12N4OS — CID 118947638

IUPAC1-pent-4-enyl-3-(thiadiazol-5-yl)urea
SMILESC=CCCCNC(=O)Nc1cnns1
InChIInChI=1S/C8H12N4OS/c1-2-3-4-5-9-8(13)11-7-6-10-12-14-7/h2,6H,1,3-5H2,(H2,9,11,13)
InChIKeyVBUYPLLNBKRXIB-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.63
Rot. Bonds5

About 1-pent-4-enyl-3-(thiadiazol-5-yl)urea

1-pent-4-enyl-3-(thiadiazol-5-yl)urea (PubChem CID 118947638) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-pent-4-enyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-pent-4-enyl-3-(thiadiazol-5-yl)urea
PubChem CID118947638
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-pent-4-enyl-3-(thiadiazol-5-yl)urea
SMILESC=CCCCNC(=O)Nc1cnns1
InChIInChI=1S/C8H12N4OS/c1-2-3-4-5-9-8(13)11-7-6-10-12-14-7/h2,6H,1,3-5H2,(H2,9,11,13)
InChIKeyVBUYPLLNBKRXIB-UHFFFAOYSA-N
XLogP1.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-1-ethyl-3-(thiadiazol-5-yl)urea
CID 99836113
1-[(1S)-cyclohex-2-en-1-yl]-3-(thiadiazol-5-yl)urea
CID 164636537
N-Cyclohexyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729971
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
5-fluoro-N-(thiadiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 132297950
N-Methyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729976
1-Butyl-3-(thiadiazol-5-yl)urea
CID 103279685
1-Prop-2-enyl-3-(thiadiazol-5-yl)urea
CID 118947603
1-Pent-4-ynyl-3-(thiadiazol-5-yl)urea
CID 118947614
1-(6-Sulfanylidenehexyl)-3-(thiadiazol-5-yl)urea
CID 118947621
1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea
CID 118947634
1-But-3-enyl-3-(thiadiazol-5-yl)urea
CID 118947658

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-pent-4-enyl-3-(thiadiazol-5-yl)urea (CID 118947638) is 1-pent-4-enyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-pent-4-enyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-pent-4-enyl-3-(thiadiazol-5-yl)urea is C=CCCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-pent-4-enyl-3-(thiadiazol-5-yl)urea?
The InChIKey is VBUYPLLNBKRXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-2-3-4-5-9-8(13)11-7-6-10-12-14-7/h2,6H,1,3-5H2,(H2,9,11,13).
What are the key properties of 1-pent-4-enyl-3-(thiadiazol-5-yl)urea?
1-pent-4-enyl-3-(thiadiazol-5-yl)urea has a molecular weight of 212.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).