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

C15H17N3O2S — CID 35540422

IUPAC4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1
InChIInChI=1S/C15H17N3O2S/c1-2-10-5-7-11(8-6-10)13(19)16-15-18-17-14(21-15)12-4-3-9-20-12/h5-8,12H,2-4,9H2,1H3,(H,16,18,19)/t12-/m1/s1
InChIKeyQKUKZYPXQNAYSA-GFCCVEGCSA-N
MW303.39 g/mol
LogP3.20
Rot. Bonds4

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

4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 35540422) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID35540422
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1
InChIInChI=1S/C15H17N3O2S/c1-2-10-5-7-11(8-6-10)13(19)16-15-18-17-14(21-15)12-4-3-9-20-12/h5-8,12H,2-4,9H2,1H3,(H,16,18,19)/t12-/m1/s1
InChIKeyQKUKZYPXQNAYSA-GFCCVEGCSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
4-methyl-3-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 19182046
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (CID 35540422) is 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is CCc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1.
What is the InChIKey of 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is QKUKZYPXQNAYSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-10-5-7-11(8-6-10)13(19)16-15-18-17-14(21-15)12-4-3-9-20-12/h5-8,12H,2-4,9H2,1H3,(H,16,18,19)/t12-/m1/s1.
What are the key properties of 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 303.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 35540422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).