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

C11H17N3O2S — CID 19183928

IUPACN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-3-6-9(15)12-11-14-13-10(17-11)8-5-4-7-16-8/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyJYTSRQGSVMVIKC-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.52
Rot. Bonds5

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

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 19183928) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID19183928
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-3-6-9(15)12-11-14-13-10(17-11)8-5-4-7-16-8/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyJYTSRQGSVMVIKC-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-butyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
CID 16876319
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 110459746
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 97263465
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178932
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 19183928) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is JYTSRQGSVMVIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-3-6-9(15)12-11-14-13-10(17-11)8-5-4-7-16-8/h8H,2-7H2,1H3,(H,12,14,15).
What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 255.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 19183928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).