6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide

C14H16N4O4S — CID 91765651

IUPAC6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H16N4O4S/c19-13-4-15-11(3-16-13)14(20)18-10-1-2-21-6-12(10)22-5-9-7-23-8-17-9/h3-4,7-8,10,12H,1-2,5-6H2,(H,16,19)(H,18,20)/t10-,12-/m1/s1
InChIKeyWJVZJORYVMGSEW-ZYHUDNBSSA-N
MW336.37 g/mol
LogP0.33
Rot. Bonds5

About 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide

6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide (PubChem CID 91765651) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide
PubChem CID91765651
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H16N4O4S/c19-13-4-15-11(3-16-13)14(20)18-10-1-2-21-6-12(10)22-5-9-7-23-8-17-9/h3-4,7-8,10,12H,1-2,5-6H2,(H,16,19)(H,18,20)/t10-,12-/m1/s1
InChIKeyWJVZJORYVMGSEW-ZYHUDNBSSA-N
XLogP0.33
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide (CID 91765651) is 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide?
The InChIKey is WJVZJORYVMGSEW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H16N4O4S/c19-13-4-15-11(3-16-13)14(20)18-10-1-2-21-6-12(10)22-5-9-7-23-8-17-9/h3-4,7-8,10,12H,1-2,5-6H2,(H,16,19)(H,18,20)/t10-,12-/m1/s1.
What are the key properties of 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide?
6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91765651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).