4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide

C15H21N5O2S — CID 128972882

IUPAC4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H21N5O2S/c1-5-10-14(23-19-17-10)15(21)16-11-6-7-22-13(11)12-8(2)18-20(4)9(12)3/h11,13H,5-7H2,1-4H3,(H,16,21)/t11-,13-/m0/s1
InChIKeyXJOPRUTXCSRICK-AAEUAGOBSA-N
MW335.43 g/mol
LogP1.71
Rot. Bonds4

About 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide

4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide (PubChem CID 128972882) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
PubChem CID128972882
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H21N5O2S/c1-5-10-14(23-19-17-10)15(21)16-11-6-7-22-13(11)12-8(2)18-20(4)9(12)3/h11,13H,5-7H2,1-4H3,(H,16,21)/t11-,13-/m0/s1
InChIKeyXJOPRUTXCSRICK-AAEUAGOBSA-N
XLogP1.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide (CID 128972882) is 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C.
What is the InChIKey of 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The InChIKey is XJOPRUTXCSRICK-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-5-10-14(23-19-17-10)15(21)16-11-6-7-22-13(11)12-8(2)18-20(4)9(12)3/h11,13H,5-7H2,1-4H3,(H,16,21)/t11-,13-/m0/s1.
What are the key properties of 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 128972882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).