N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide

C13H13N3O2S — CID 734593

IUPACN-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h1-3,5-6,10H,4,7-8H2,(H,14,16,17)/t10-/m0/s1
InChIKeyPOHLAMWCNWSLJD-JTQLQIEISA-N
MW275.33 g/mol
LogP2.64
Rot. Bonds3

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

N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 734593) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID734593
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h1-3,5-6,10H,4,7-8H2,(H,14,16,17)/t10-/m0/s1
InChIKeyPOHLAMWCNWSLJD-JTQLQIEISA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2S)-oxolan-2-yl]-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

4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
CID 51973075
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 52996481
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
4-methyl-3-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 19182046
2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 16644303

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (CID 734593) is N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccccc1.
What is the InChIKey of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is POHLAMWCNWSLJD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h1-3,5-6,10H,4,7-8H2,(H,14,16,17)/t10-/m0/s1.
What are the key properties of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 275.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 734593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).