1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea

C16H19ClN4O2S — CID 9094748

IUPAC1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1
InChIInChI=1S/C16H19ClN4O2S/c1-22-9-8-18-16(24)21(13-6-7-13)10-14-19-20-15(23-14)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,24)
InChIKeyHTHFWUNKCAMXLE-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.88
Rot. Bonds7

About 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea

1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea (PubChem CID 9094748) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea
PubChem CID9094748
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1
InChIInChI=1S/C16H19ClN4O2S/c1-22-9-8-18-16(24)21(13-6-7-13)10-14-19-20-15(23-14)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,24)
InChIKeyHTHFWUNKCAMXLE-UHFFFAOYSA-N
XLogP2.88
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea 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

1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclohexyl-1-cyclopentylthiourea
CID 8677784
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261076
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8834974
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propoxyphenoxy)acetamide
CID 55332851
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55405918
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,4-difluorobenzamide
CID 8699727
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55375985
3-(2-methoxyethyl)-1-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propan-2-ylthiourea
CID 9094997
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(2-ethoxyphenoxy)butanamide
CID 55332893
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 8699681

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea (CID 9094748) is 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea is COCCNC(=S)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea?
The InChIKey is HTHFWUNKCAMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-22-9-8-18-16(24)21(13-6-7-13)10-14-19-20-15(23-14)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,24).
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea?
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea has a molecular weight of 366.87 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 9094748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).