4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H16ClN3O2S — CID 17319563

IUPAC4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-14-10-8-13(9-11-14)17(23)20-18-22-21-16(25-18)7-4-12-24-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,20,22,23)
InChIKeyGLQRUVGKFQKRJV-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.46
Rot. Bonds7

About 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17319563) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17319563
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-14-10-8-13(9-11-14)17(23)20-18-22-21-16(25-18)7-4-12-24-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,20,22,23)
InChIKeyGLQRUVGKFQKRJV-UHFFFAOYSA-N
XLogP4.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide 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

N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
3-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319770
4-chloro-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3349021
3,4,5-trimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17320419
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
4-chloro-N-[5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 11078884
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorobenzoyl)benzamide
CID 46541850
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 51054729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17319563) is 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GLQRUVGKFQKRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-14-10-8-13(9-11-14)17(23)20-18-22-21-16(25-18)7-4-12-24-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,20,22,23).
What are the key properties of 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 373.87 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17319563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).