N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide

C11H11N3O2S2 — CID 86849784

IUPACN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)C1CCOC1
InChIInChI=1S/C11H11N3O2S2/c15-9(7-1-3-16-5-7)12-11-14-13-10(18-11)8-2-4-17-6-8/h2,4,6-7H,1,3,5H2,(H,12,14,15)
InChIKeyWMPFPFDMBJZFSF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.24
Rot. Bonds3

About N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide

N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide (PubChem CID 86849784) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
PubChem CID86849784
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC NameN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)C1CCOC1
InChIInChI=1S/C11H11N3O2S2/c15-9(7-1-3-16-5-7)12-11-14-13-10(18-11)8-2-4-17-6-8/h2,4,6-7H,1,3,5H2,(H,12,14,15)
InChIKeyWMPFPFDMBJZFSF-UHFFFAOYSA-N
XLogP2.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide (CID 86849784) is N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide is O=C(Nc1nnc(-c2ccsc2)s1)C1CCOC1.
What is the InChIKey of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is WMPFPFDMBJZFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c15-9(7-1-3-16-5-7)12-11-14-13-10(18-11)8-2-4-17-6-8/h2,4,6-7H,1,3,5H2,(H,12,14,15).
What are the key properties of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 86849784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).