N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide

C15H17ClN4O3S — CID 118716292

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)Nc1nnc(-c2ccccc2Cl)s1)NO
InChIInChI=1S/C15H17ClN4O3S/c16-11-7-5-4-6-10(11)14-18-19-15(24-14)17-12(21)8-2-1-3-9-13(22)20-23/h4-7,23H,1-3,8-9H2,(H,20,22)(H,17,19,21)
InChIKeyAPTCRZDGAFKVHM-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.25
Rot. Bonds8

About N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide (PubChem CID 118716292) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
PubChem CID118716292
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)Nc1nnc(-c2ccccc2Cl)s1)NO
InChIInChI=1S/C15H17ClN4O3S/c16-11-7-5-4-6-10(11)14-18-19-15(24-14)17-12(21)8-2-1-3-9-13(22)20-23/h4-7,23H,1-3,8-9H2,(H,20,22)(H,17,19,21)
InChIKeyAPTCRZDGAFKVHM-UHFFFAOYSA-N
XLogP3.25
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide (CID 118716292) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide is O=C(CCCCCC(=O)Nc1nnc(-c2ccccc2Cl)s1)NO.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide?
The InChIKey is APTCRZDGAFKVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c16-11-7-5-4-6-10(11)14-18-19-15(24-14)17-12(21)8-2-1-3-9-13(22)20-23/h4-7,23H,1-3,8-9H2,(H,20,22)(H,17,19,21).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide has a molecular weight of 368.85 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide is sourced from PubChem (CID 118716292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).