1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea

C7H8N4OS — CID 118947634

IUPAC1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea
SMILESC=C/C=C\NC(=O)Nc1cnns1
InChIInChI=1S/C7H8N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h2-5H,1H2,(H2,8,10,12)/b4-3-
InChIKeyRYXAHJXOKAHBJW-ARJAWSKDSA-N
MW196.24 g/mol
LogP1.36
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea

1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea (PubChem CID 118947634) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea
PubChem CID118947634
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea
SMILESC=C/C=C\NC(=O)Nc1cnns1
InChIInChI=1S/C7H8N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h2-5H,1H2,(H2,8,10,12)/b4-3-
InChIKeyRYXAHJXOKAHBJW-ARJAWSKDSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-1,2,3-Thiadiazol-5-ylurea
CID 18352222
1-Ethyl-1-methyl-3-(thiadiazol-5-yl)urea
CID 86807489
1-Butyl-1-ethyl-3-(thiadiazol-5-yl)urea
CID 99836113
1-(Thiadiazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 107649831
1-(2-Fluoroethyl)-3-(thiadiazol-5-yl)urea
CID 130668369
1-(1-Fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 130679934
1-(2,2-Difluoroethyl)-1-methyl-3-(thiadiazol-5-yl)urea
CID 132297949
1,1-Dimethyl-3-(1,2,3-thiadiazol-5-yl)urea
CID 1499050
N-Methyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729976
N,N'-Dimethyl-N-1,2,3-thiadiazol-5-ylurea
CID 13729978
1-Butyl-3-(thiadiazol-5-yl)urea
CID 103279685
1-(3-Bromopropyl)-3-(thiadiazol-5-yl)urea
CID 118947582

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea (CID 118947634) is 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea is C=C/C=C\NC(=O)Nc1cnns1.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea?
The InChIKey is RYXAHJXOKAHBJW-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h2-5H,1H2,(H2,8,10,12)/b4-3-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea?
1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea has a molecular weight of 196.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).