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

C13H12ClN3O2S — CID 51721207

IUPAC3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc([C@@H]2CCCO2)s1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O2S/c14-9-4-1-3-8(7-9)11(18)15-13-17-16-12(20-13)10-5-2-6-19-10/h1,3-4,7,10H,2,5-6H2,(H,15,17,18)/t10-/m0/s1
InChIKeyXGFTZZKDSBBWTC-JTQLQIEISA-N
MW309.78 g/mol
LogP3.30
Rot. Bonds3

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

3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 51721207) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID51721207
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc([C@@H]2CCCO2)s1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O2S/c14-9-4-1-3-8(7-9)11(18)15-13-17-16-12(20-13)10-5-2-6-19-10/h1,3-4,7,10H,2,5-6H2,(H,15,17,18)/t10-/m0/s1
InChIKeyXGFTZZKDSBBWTC-JTQLQIEISA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 19187582
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 95859488
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]urea
CID 170578911
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
4-methyl-3-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 19182046
(E)-3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182062
(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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (CID 51721207) is 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XGFTZZKDSBBWTC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-9-4-1-3-8(7-9)11(18)15-13-17-16-12(20-13)10-5-2-6-19-10/h1,3-4,7,10H,2,5-6H2,(H,15,17,18)/t10-/m0/s1.
What are the key properties of 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 309.78 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 51721207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).