N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C11H15N3O2S — CID 154837433

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1nnc(NC(=O)C2CC3CCC2O3)s1
InChIInChI=1S/C11H15N3O2S/c1-2-9-13-14-11(17-9)12-10(15)7-5-6-3-4-8(7)16-6/h6-8H,2-5H2,1H3,(H,12,14,15)
InChIKeyZUZLSEOJYLZYAM-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.61
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154837433) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154837433
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1nnc(NC(=O)C2CC3CCC2O3)s1
InChIInChI=1S/C11H15N3O2S/c1-2-9-13-14-11(17-9)12-10(15)7-5-6-3-4-8(7)16-6/h6-8H,2-5H2,1H3,(H,12,14,15)
InChIKeyZUZLSEOJYLZYAM-UHFFFAOYSA-N
XLogP1.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675982
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 17448062
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 119675992
(1R,2S,4R)-N-[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98787494
(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 124857187
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 43926612

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 154837433) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CCc1nnc(NC(=O)C2CC3CCC2O3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZUZLSEOJYLZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-9-13-14-11(17-9)12-10(15)7-5-6-3-4-8(7)16-6/h6-8H,2-5H2,1H3,(H,12,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154837433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).