methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate

C10H8ClN3O2S — CID 59864615

IUPACmethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1cnc(C)cn1
InChIInChI=1S/C10H8ClN3O2S/c1-5-3-13-6(4-12-5)7-8(9(15)16-2)17-10(11)14-7/h3-4H,1-2H3
InChIKeyGWLBWYAVHSNXLW-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.35
Rot. Bonds2

About methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate

methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 59864615) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID59864615
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Namemethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1cnc(C)cn1
InChIInChI=1S/C10H8ClN3O2S/c1-5-3-13-6(4-12-5)7-8(9(15)16-2)17-10(11)14-7/h3-4H,1-2H3
InChIKeyGWLBWYAVHSNXLW-UHFFFAOYSA-N
XLogP2.35
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
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 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (CID 59864615) is methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Cl)nc1-c1cnc(C)cn1.
What is the InChIKey of methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is GWLBWYAVHSNXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-5-3-13-6(4-12-5)7-8(9(15)16-2)17-10(11)14-7/h3-4H,1-2H3.
What are the key properties of methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 269.71 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).