2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid

C11H11N3O2S2 — CID 65417316

IUPAC2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1cnc(C)c(Sc2nc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C11H11N3O2S2/c1-5-4-12-7(3)9(13-5)18-11-14-6(2)8(17-11)10(15)16/h4H,1-3H3,(H,15,16)
InChIKeyOQZWFXULHUJLCS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds3

About 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 65417316) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID65417316
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1cnc(C)c(Sc2nc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C11H11N3O2S2/c1-5-4-12-7(3)9(13-5)18-11-14-6(2)8(17-11)10(15)16/h4H,1-3H3,(H,15,16)
InChIKeyOQZWFXULHUJLCS-UHFFFAOYSA-N
XLogP2.71
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 105366570
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 79728014
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-(4-cyano-5,6-dimethylpyridazin-3-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80512838
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81054024
2-(3,6-dimethylpyrazin-2-yl)sulfanylacetic acid
CID 60631564
2-(2,1-benzothiazol-3-ylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 66355706
4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 64554779
4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 114574045
2-(4-chloro-5-fluoro-2-nitrophenyl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 66078731
2-[2-bromo-4-(trifluoromethyl)phenyl]sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 115511373
acetic acid;2,3,5-trimethylpyrazine
CID 159251290

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid (CID 65417316) is 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1cnc(C)c(Sc2nc(C)c(C(=O)O)s2)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OQZWFXULHUJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-5-4-12-7(3)9(13-5)18-11-14-6(2)8(17-11)10(15)16/h4H,1-3H3,(H,15,16).
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 65417316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).