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

C13H17N3O4S — CID 97425941

IUPAC(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@@H]1C(=O)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C13H17N3O4S/c1-13(2)7(6-9(17)20-13)10(18)14-12-16-15-11(21-12)8-4-3-5-19-8/h7-8H,3-6H2,1-2H3,(H,14,16,18)/t7-,8-/m1/s1
InChIKeyKZYREMSUOSJIOU-HTQZYQBOSA-N
MW311.36 g/mol
LogP1.67
Rot. Bonds3

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

(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide (PubChem CID 97425941) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
PubChem CID97425941
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@@H]1C(=O)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C13H17N3O4S/c1-13(2)7(6-9(17)20-13)10(18)14-12-16-15-11(21-12)8-4-3-5-19-8/h7-8H,3-6H2,1-2H3,(H,14,16,18)/t7-,8-/m1/s1
InChIKeyKZYREMSUOSJIOU-HTQZYQBOSA-N
XLogP1.67
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
CID 97425770
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
(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
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
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]pentanamide
CID 19183928
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
4-butyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
CID 16876319
(2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide
CID 51972771

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide (CID 97425941) is (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide is CC1(C)OC(=O)C[C@@H]1C(=O)Nc1nnc([C@H]2CCCO2)s1.
What is the InChIKey of (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The InChIKey is KZYREMSUOSJIOU-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(2)7(6-9(17)20-13)10(18)14-12-16-15-11(21-12)8-4-3-5-19-8/h7-8H,3-6H2,1-2H3,(H,14,16,18)/t7-,8-/m1/s1.
What are the key properties of (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 97425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).