(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide

C18H19N5O2S — CID 129003973

IUPAC(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)ns2)cnn1C
InChIInChI=1S/C18H19N5O2S/c1-11-14(10-19-23(11)2)15-13(8-9-25-15)17(24)21-18-20-16(22-26-18)12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,20,21,22,24)/t13-,15-/m0/s1
InChIKeyFWBJQJJORCCZCI-ZFWWWQNUSA-N
MW369.45 g/mol
LogP2.96
Rot. Bonds4

About (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide

(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide (PubChem CID 129003973) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide
PubChem CID129003973
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)ns2)cnn1C
InChIInChI=1S/C18H19N5O2S/c1-11-14(10-19-23(11)2)15-13(8-9-25-15)17(24)21-18-20-16(22-26-18)12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,20,21,22,24)/t13-,15-/m0/s1
InChIKeyFWBJQJJORCCZCI-ZFWWWQNUSA-N
XLogP2.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide (CID 129003973) is (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide is Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)ns2)cnn1C.
What is the InChIKey of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide?
The InChIKey is FWBJQJJORCCZCI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-14(10-19-23(11)2)15-13(8-9-25-15)17(24)21-18-20-16(22-26-18)12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,20,21,22,24)/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide?
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129003973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).