(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide

C10H13N3O2S — CID 110459746

IUPAC(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C10H13N3O2S/c1-2-4-8(14)11-10-13-12-9(16-10)7-5-3-6-15-7/h2,4,7H,3,5-6H2,1H3,(H,11,13,14)/b4-2+
InChIKeyUINGLWAKHWLXPG-DUXPYHPUSA-N
MW239.30 g/mol
LogP1.90
Rot. Bonds3

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

(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide (PubChem CID 110459746) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
PubChem CID110459746
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C10H13N3O2S/c1-2-4-8(14)11-10-13-12-9(16-10)7-5-3-6-15-7/h2,4,7H,3,5-6H2,1H3,(H,11,13,14)/b4-2+
InChIKeyUINGLWAKHWLXPG-DUXPYHPUSA-N
XLogP1.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
(E)-3-(4-methylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182067
(E)-3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182062
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
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
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-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 16644303
(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 97425941

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide (CID 110459746) is (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide is C/C=C/C(=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide?
The InChIKey is UINGLWAKHWLXPG-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-4-8(14)11-10-13-12-9(16-10)7-5-3-6-15-7/h2,4,7H,3,5-6H2,1H3,(H,11,13,14)/b4-2+.
What are the key properties of (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide?
(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide has a molecular weight of 239.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide is sourced from PubChem (CID 110459746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).