N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide

C14H19N5O2S — CID 128997661

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C14H19N5O2S/c1-4-10-13(22-18-17-10)14(20)16-11-5-6-21-12(11)9-7-15-19(3)8(9)2/h7,11-12H,4-6H2,1-3H3,(H,16,20)/t11-,12+/m0/s1
InChIKeyAWHVEUBSHDXQBC-NWDGAFQWSA-N
MW321.41 g/mol
LogP1.40
Rot. Bonds4

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 128997661) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide
PubChem CID128997661
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C14H19N5O2S/c1-4-10-13(22-18-17-10)14(20)16-11-5-6-21-12(11)9-7-15-19(3)8(9)2/h7,11-12H,4-6H2,1-3H3,(H,16,20)/t11-,12+/m0/s1
InChIKeyAWHVEUBSHDXQBC-NWDGAFQWSA-N
XLogP1.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide (CID 128997661) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is AWHVEUBSHDXQBC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-4-10-13(22-18-17-10)14(20)16-11-5-6-21-12(11)9-7-15-19(3)8(9)2/h7,11-12H,4-6H2,1-3H3,(H,16,20)/t11-,12+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 128997661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).