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

C14H19N5O2S — CID 129001553

IUPAC4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1
InChIInChI=1S/C14H19N5O2S/c1-3-10-13(22-18-17-10)14(20)16-11-5-6-21-12(11)9-7-15-19(4-2)8-9/h7-8,11-12H,3-6H2,1-2H3,(H,16,20)/t11-,12+/m0/s1
InChIKeyDWGAQVZDSOSWCU-NWDGAFQWSA-N
MW321.41 g/mol
LogP1.58
Rot. Bonds5

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

4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide (PubChem CID 129001553) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
PubChem CID129001553
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1
InChIInChI=1S/C14H19N5O2S/c1-3-10-13(22-18-17-10)14(20)16-11-5-6-21-12(11)9-7-15-19(4-2)8-9/h7-8,11-12H,3-6H2,1-2H3,(H,16,20)/t11-,12+/m0/s1
InChIKeyDWGAQVZDSOSWCU-NWDGAFQWSA-N
XLogP1.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.58
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-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide (CID 129001553) is 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1.
What is the InChIKey of 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The InChIKey is DWGAQVZDSOSWCU-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-10-13(22-18-17-10)14(20)16-11-5-6-21-12(11)9-7-15-19(4-2)8-9/h7-8,11-12H,3-6H2,1-2H3,(H,16,20)/t11-,12+/m0/s1.
What are the key properties of 4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.58, 5 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-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 129001553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).