N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide

C13H14N4O2S — CID 2378817

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H14N4O2S/c1-2-19-11-9(4-3-7-14-11)10(18)15-13-17-16-12(20-13)8-5-6-8/h3-4,7-8H,2,5-6H2,1H3,(H,15,17,18)
InChIKeyCJZDTHNYJFEZNX-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.46
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 2378817) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID2378817
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H14N4O2S/c1-2-19-11-9(4-3-7-14-11)10(18)15-13-17-16-12(20-13)8-5-6-8/h3-4,7-8H,2,5-6H2,1H3,(H,15,17,18)
InChIKeyCJZDTHNYJFEZNX-UHFFFAOYSA-N
XLogP2.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide (CID 2378817) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is CJZDTHNYJFEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-2-19-11-9(4-3-7-14-11)10(18)15-13-17-16-12(20-13)8-5-6-8/h3-4,7-8H,2,5-6H2,1H3,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2378817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).