(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide

C20H22N4O2S — CID 128995170

IUPAC(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCCc1cscn1
InChIInChI=1S/C20H22N4O2S/c1-14-4-2-3-5-17(14)24-18(7-10-23-24)19-16(8-11-26-19)20(25)21-9-6-15-12-27-13-22-15/h2-5,7,10,12-13,16,19H,6,8-9,11H2,1H3,(H,21,25)/t16-,19-/m0/s1
InChIKeyAELIIYYTDKCPSR-LPHOPBHVSA-N
MW382.49 g/mol
LogP3.07
Rot. Bonds6

About (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide

(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 128995170) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID128995170
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCCc1cscn1
InChIInChI=1S/C20H22N4O2S/c1-14-4-2-3-5-17(14)24-18(7-10-23-24)19-16(8-11-26-19)20(25)21-9-6-15-12-27-13-22-15/h2-5,7,10,12-13,16,19H,6,8-9,11H2,1H3,(H,21,25)/t16-,19-/m0/s1
InChIKeyAELIIYYTDKCPSR-LPHOPBHVSA-N
XLogP3.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide (CID 128995170) is (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide is Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCCc1cscn1.
What is the InChIKey of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is AELIIYYTDKCPSR-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-4-2-3-5-17(14)24-18(7-10-23-24)19-16(8-11-26-19)20(25)21-9-6-15-12-27-13-22-15/h2-5,7,10,12-13,16,19H,6,8-9,11H2,1H3,(H,21,25)/t16-,19-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 128995170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).