1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea

C15H20N4OS — CID 42646083

IUPAC1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C15H20N4OS/c1-2-3-4-5-10-16-15(20)17-13-8-6-12(7-9-13)14-11-21-19-18-14/h6-9,11H,2-5,10H2,1H3,(H2,16,17,20)
InChIKeyPJLHZVRGYIYKSU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.91
Rot. Bonds7

About 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea

1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 42646083) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID42646083
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C15H20N4OS/c1-2-3-4-5-10-16-15(20)17-13-8-6-12(7-9-13)14-11-21-19-18-14/h6-9,11H,2-5,10H2,1H3,(H2,16,17,20)
InChIKeyPJLHZVRGYIYKSU-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
N-(2,6-dimethylphenyl)-N'-{2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]ethyl}urea
CID 3719814
N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline
CID 13427194
N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 47386684
N-[4-({Methyl[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]amino}methyl)phenyl]acetamide
CID 50953439
3-pyrrolidin-1-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 53614230
N-tert-butyl-2-[[4-(thiadiazol-4-yl)phenyl]carbamoylamino]propanamide
CID 53618792
1-(1-Cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 71874143
N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 71878887
3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 71978355
3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 71980700
1-(1-Hydroxy-4-methylpentan-3-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 72117702

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 42646083) is 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea is CCCCCCNC(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is PJLHZVRGYIYKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-3-4-5-10-16-15(20)17-13-8-6-12(7-9-13)14-11-21-19-18-14/h6-9,11H,2-5,10H2,1H3,(H2,16,17,20).
What are the key properties of 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 42646083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).