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

C11H15N3O3S — CID 45154366

IUPACN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)C1CCCO1
InChIInChI=1S/C11H15N3O3S/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h7-8H,1-6H2,(H,12,14,15)
InChIKeyPUTWTCGBJLDDQC-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.51
Rot. Bonds3

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

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 45154366) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID45154366
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)C1CCCO1
InChIInChI=1S/C11H15N3O3S/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h7-8H,1-6H2,(H,12,14,15)
InChIKeyPUTWTCGBJLDDQC-UHFFFAOYSA-N
XLogP1.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 110459746
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 97425941
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 16644303
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
4-butyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
CID 16876319

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 45154366) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1nnc(C2CCCO2)s1)C1CCCO1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is PUTWTCGBJLDDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h7-8H,1-6H2,(H,12,14,15).
What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 45154366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).