1-butyl-3-(thiadiazol-5-yl)urea

C7H12N4OS — CID 103279685

IUPAC1-butyl-3-(thiadiazol-5-yl)urea
SMILESCCCCNC(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h5H,2-4H2,1H3,(H2,8,10,12)
InChIKeyWWTFHUBIYUOCBI-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.46
Rot. Bonds4

About 1-butyl-3-(thiadiazol-5-yl)urea

1-butyl-3-(thiadiazol-5-yl)urea (PubChem CID 103279685) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-butyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(thiadiazol-5-yl)urea
PubChem CID103279685
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-butyl-3-(thiadiazol-5-yl)urea
SMILESCCCCNC(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h5H,2-4H2,1H3,(H2,8,10,12)
InChIKeyWWTFHUBIYUOCBI-UHFFFAOYSA-N
XLogP1.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-3-(thiadiazol-5-yl)urea
CID 118947625
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-(2-Propylcyclopropyl)-3-(thiadiazol-5-yl)urea
CID 119049279
N-Cyclohexyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729971
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
1-(Thiadiazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 107649831
3,3-difluoro-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069727
3-fluoro-3-methyl-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069969
1-(2-Fluoroethyl)-3-(thiadiazol-5-yl)urea
CID 130668369
1-(1-Fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 130679934

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-butyl-3-(thiadiazol-5-yl)urea (CID 103279685) is 1-butyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-butyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-butyl-3-(thiadiazol-5-yl)urea is CCCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-butyl-3-(thiadiazol-5-yl)urea?
The InChIKey is WWTFHUBIYUOCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h5H,2-4H2,1H3,(H2,8,10,12).
What are the key properties of 1-butyl-3-(thiadiazol-5-yl)urea?
1-butyl-3-(thiadiazol-5-yl)urea has a molecular weight of 200.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 103279685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).