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

C11H10ClN3O2S — CID 59864587

IUPACmethyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1ncc(C)nc1C
InChIInChI=1S/C11H10ClN3O2S/c1-5-4-13-7(6(2)14-5)8-9(10(16)17-3)18-11(12)15-8/h4H,1-3H3
InChIKeyRJAWRUWEFBVBRG-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.66
Rot. Bonds2

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

methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 59864587) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID59864587
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Namemethyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1ncc(C)nc1C
InChIInChI=1S/C11H10ClN3O2S/c1-5-4-13-7(6(2)14-5)8-9(10(16)17-3)18-11(12)15-8/h4H,1-3H3
InChIKeyRJAWRUWEFBVBRG-UHFFFAOYSA-N
XLogP2.66
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-chloro-4-(3-fluoropyridin-2-yl)-1,3-thiazole-5-carboxylate
CID 58075077
Methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
CID 59864739
Methyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
CID 7454275
Ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 58074997
Ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 58075094
Methyl 4-((dimethylamino)methyl)-2-(pyridin-2-yl)thiazole-5-carboxylate
CID 58504091
Ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate
CID 59291517
Methyl 2-chloro-4-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864582
Ethyl 2-chloro-4-(pyrazin-2-yl)thiazole-5-carboxylate
CID 59864583
Methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864615
Ethyl 2-amino-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864655
Methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864704

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (CID 59864587) is methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Cl)nc1-c1ncc(C)nc1C.
What is the InChIKey of methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is RJAWRUWEFBVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-5-4-13-7(6(2)14-5)8-9(10(16)17-3)18-11(12)15-8/h4H,1-3H3.
What are the key properties of methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 2.66, 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-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).