N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide

C11H13N3OS2 — CID 90675469

IUPACN-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
SMILESC=CCN(C(C)=O)C1=NNC(c2cccs2)S1
InChIInChI=1S/C11H13N3OS2/c1-3-6-14(8(2)15)11-13-12-10(17-11)9-5-4-7-16-9/h3-5,7,10,12H,1,6H2,2H3
InChIKeyAUCUDCOHUCYOGR-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.39
Rot. Bonds3

About N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide

N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide (PubChem CID 90675469) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
PubChem CID90675469
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
SMILESC=CCN(C(C)=O)C1=NNC(c2cccs2)S1
InChIInChI=1S/C11H13N3OS2/c1-3-6-14(8(2)15)11-13-12-10(17-11)9-5-4-7-16-9/h3-5,7,10,12H,1,6H2,2H3
InChIKeyAUCUDCOHUCYOGR-UHFFFAOYSA-N
XLogP2.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide (CID 90675469) is N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide is C=CCN(C(C)=O)C1=NNC(c2cccs2)S1.
What is the InChIKey of N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
The InChIKey is AUCUDCOHUCYOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-6-14(8(2)15)11-13-12-10(17-11)9-5-4-7-16-9/h3-5,7,10,12H,1,6H2,2H3.
What are the key properties of N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide has a molecular weight of 267.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 90675469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).