N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide

C15H16ClN3O2S — CID 71993973

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide
SMILESO=C(CC1CCOC1)Nc1nnc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O2S/c16-12-3-1-2-10(6-12)8-14-18-19-15(22-14)17-13(20)7-11-4-5-21-9-11/h1-3,6,11H,4-5,7-9H2,(H,17,19,20)
InChIKeyIIPZCCITFDSPFQ-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.15
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide

N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide (PubChem CID 71993973) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide
PubChem CID71993973
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide
SMILESO=C(CC1CCOC1)Nc1nnc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O2S/c16-12-3-1-2-10(6-12)8-14-18-19-15(22-14)17-13(20)7-11-4-5-21-9-11/h1-3,6,11H,4-5,7-9H2,(H,17,19,20)
InChIKeyIIPZCCITFDSPFQ-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide 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-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide (CID 71993973) is N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide is O=C(CC1CCOC1)Nc1nnc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide?
The InChIKey is IIPZCCITFDSPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-12-3-1-2-10(6-12)8-14-18-19-15(22-14)17-13(20)7-11-4-5-21-9-11/h1-3,6,11H,4-5,7-9H2,(H,17,19,20).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide?
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 71993973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).