3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide

C13H14N4O2S — CID 132984217

IUPAC3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(CC2CC2)ns1)c1cc(C2CC2)no1
InChIInChI=1S/C13H14N4O2S/c18-12(10-6-9(16-19-10)8-3-4-8)15-13-14-11(17-20-13)5-7-1-2-7/h6-8H,1-5H2,(H,14,15,17,18)
InChIKeyDQFQHWGITYAGOO-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.61
Rot. Bonds5

About 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide (PubChem CID 132984217) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide
PubChem CID132984217
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(CC2CC2)ns1)c1cc(C2CC2)no1
InChIInChI=1S/C13H14N4O2S/c18-12(10-6-9(16-19-10)8-3-4-8)15-13-14-11(17-20-13)5-7-1-2-7/h6-8H,1-5H2,(H,14,15,17,18)
InChIKeyDQFQHWGITYAGOO-UHFFFAOYSA-N
XLogP2.61
TPSA80.91 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide (CID 132984217) is 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1nc(CC2CC2)ns1)c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is DQFQHWGITYAGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(10-6-9(16-19-10)8-3-4-8)15-13-14-11(17-20-13)5-7-1-2-7/h6-8H,1-5H2,(H,14,15,17,18).
What are the key properties of 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 132984217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).