methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate

C9H7N3O2S2 — CID 103772195

IUPACmethyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Sc2nccs2)cn1
InChIInChI=1S/C9H7N3O2S2/c1-14-8(13)6-4-12-7(5-11-6)16-9-10-2-3-15-9/h2-5H,1H3
InChIKeyNILBDORNBUVMNH-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.87
Rot. Bonds3

About methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate

methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate (PubChem CID 103772195) has the molecular formula C9H7N3O2S2 and a molecular weight of 253.31 g/mol. Its IUPAC name is methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate
PubChem CID103772195
Molecular FormulaC9H7N3O2S2
Molecular Weight253.31 g/mol
Exact Mass253.00
IUPAC Namemethyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Sc2nccs2)cn1
InChIInChI=1S/C9H7N3O2S2/c1-14-8(13)6-4-12-7(5-11-6)16-9-10-2-3-15-9/h2-5H,1H3
InChIKeyNILBDORNBUVMNH-UHFFFAOYSA-N
XLogP1.87
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

methyl 5-phenylsulfanylpyrazine-2-carboxylate
CID 103772075
5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile
CID 63658742
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 61375697
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 114870877
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80651411
2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 23202278
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059816
methyl 5-dimethylphosphorylpyrazine-2-carboxylate
CID 155822317
1,3-thiazol-2-ylsulfanylformic acid
CID 88841214
5-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylic acid
CID 107372609

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate (CID 103772195) is methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate is COC(=O)c1cnc(Sc2nccs2)cn1.
What is the InChIKey of methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate?
The InChIKey is NILBDORNBUVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S2/c1-14-8(13)6-4-12-7(5-11-6)16-9-10-2-3-15-9/h2-5H,1H3.
What are the key properties of methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate?
methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate has a molecular weight of 253.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carboxylate is sourced from PubChem (CID 103772195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).