1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea

C12H14N4O2S — CID 13150559

IUPAC1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea
SMILESCCCON(C(=O)Nc1cnns1)c1ccccc1
InChIInChI=1S/C12H14N4O2S/c1-2-8-18-16(10-6-4-3-5-7-10)12(17)14-11-9-13-15-19-11/h3-7,9H,2,8H2,1H3,(H,14,17)
InChIKeySRRYTSXSDIJSEV-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.92
Rot. Bonds5

About 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea

1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea (PubChem CID 13150559) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea
PubChem CID13150559
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea
SMILESCCCON(C(=O)Nc1cnns1)c1ccccc1
InChIInChI=1S/C12H14N4O2S/c1-2-8-18-16(10-6-4-3-5-7-10)12(17)14-11-9-13-15-19-11/h3-7,9H,2,8H2,1H3,(H,14,17)
InChIKeySRRYTSXSDIJSEV-UHFFFAOYSA-N
XLogP2.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chloroacetate
CID 13150552
[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate
CID 13150557
2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid
CID 114913138
1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea
CID 99796134
1,1-bis(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea
CID 118947903
2-hydroxy-3-methoxy-N-(thiadiazol-5-yl)benzamide
CID 114912813
2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 114913074
(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
CID 104982933
1-[(1S,2S)-2-propylcyclopropyl]-3-(thiadiazol-5-yl)urea
CID 124849787
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912821
2-[(2-methylpropan-2-yl)oxy]-N-(thiadiazol-5-yl)acetamide
CID 103282568
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea (CID 13150559) is 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea is CCCON(C(=O)Nc1cnns1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea?
The InChIKey is SRRYTSXSDIJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-8-18-16(10-6-4-3-5-7-10)12(17)14-11-9-13-15-19-11/h3-7,9H,2,8H2,1H3,(H,14,17).
What are the key properties of 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea?
1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea has a molecular weight of 278.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 13150559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).