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

C13H16N4O2S — CID 129006216

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cscn2)cn1
InChIInChI=1S/C13H16N4O2S/c1-2-17-6-9(5-15-17)12-10(3-4-19-12)16-13(18)11-7-20-8-14-11/h5-8,10,12H,2-4H2,1H3,(H,16,18)/t10-,12+/m0/s1
InChIKeyOGEVDNXWGPNVKP-CMPLNLGQSA-N
MW292.36 g/mol
LogP1.62
Rot. Bonds4

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

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 129006216) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID129006216
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cscn2)cn1
InChIInChI=1S/C13H16N4O2S/c1-2-17-6-9(5-15-17)12-10(3-4-19-12)16-13(18)11-7-20-8-14-11/h5-8,10,12H,2-4H2,1H3,(H,16,18)/t10-,12+/m0/s1
InChIKeyOGEVDNXWGPNVKP-CMPLNLGQSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (CID 129006216) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cscn2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OGEVDNXWGPNVKP-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-17-6-9(5-15-17)12-10(3-4-19-12)16-13(18)11-7-20-8-14-11/h5-8,10,12H,2-4H2,1H3,(H,16,18)/t10-,12+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129006216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).