1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

C10H18N4OS — CID 47199526

IUPAC1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCCNC(=O)Nc1nnc(CCC)s1
InChIInChI=1S/C10H18N4OS/c1-3-5-7-11-9(15)12-10-14-13-8(16-10)6-4-2/h3-7H2,1-2H3,(H2,11,12,14,15)
InChIKeyBSYNFYXCJQFDAR-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.41
Rot. Bonds6

About 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 47199526) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID47199526
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCCNC(=O)Nc1nnc(CCC)s1
InChIInChI=1S/C10H18N4OS/c1-3-5-7-11-9(15)12-10-14-13-8(16-10)6-4-2/h3-7H2,1-2H3,(H2,11,12,14,15)
InChIKeyBSYNFYXCJQFDAR-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.41
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

4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 122074087
1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111473245
3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
CID 78875092
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]-3,4-dichlorobenzamide
CID 86987400
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
1-[2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 98125248
1-(4-hydroxy-2-methylbutyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea
CID 111473294
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 47199526) is 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCCNC(=O)Nc1nnc(CCC)s1.
What is the InChIKey of 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is BSYNFYXCJQFDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-5-7-11-9(15)12-10-14-13-8(16-10)6-4-2/h3-7H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 242.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47199526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).