methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate

C17H17N3O3S — CID 3676662

IUPACmethyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2SCC(=O)N2Cc2cnc(C)cn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-7-19-14(8-18-11)9-20-15(21)10-24-16(20)12-3-5-13(6-4-12)17(22)23-2/h3-8,16H,9-10H2,1-2H3
InChIKeyVYLKDDCRWVCBJY-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.35
Rot. Bonds4

About methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate

methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate (PubChem CID 3676662) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
PubChem CID3676662
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Namemethyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2SCC(=O)N2Cc2cnc(C)cn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-7-19-14(8-18-11)9-20-15(21)10-24-16(20)12-3-5-13(6-4-12)17(22)23-2/h3-8,16H,9-10H2,1-2H3
InChIKeyVYLKDDCRWVCBJY-UHFFFAOYSA-N
XLogP2.35
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The IUPAC name of methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate (CID 3676662) is methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate is COC(=O)c1ccc(C2SCC(=O)N2Cc2cnc(C)cn2)cc1.
What is the InChIKey of methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The InChIKey is VYLKDDCRWVCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-7-19-14(8-18-11)9-20-15(21)10-24-16(20)12-3-5-13(6-4-12)17(22)23-2/h3-8,16H,9-10H2,1-2H3.
What are the key properties of methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate?
methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate has a molecular weight of 343.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate is sourced from PubChem (CID 3676662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).