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

C11H12N4O2S — CID 59864704

IUPACmethyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1-c1ncc(C)nc1C
InChIInChI=1S/C11H12N4O2S/c1-5-4-13-7(6(2)14-5)8-9(10(16)17-3)18-11(12)15-8/h4H,1-3H3,(H2,12,15)
InChIKeyUUGVLCWUBAVYSU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.59
Rot. Bonds2

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

methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 59864704) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID59864704
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1-c1ncc(C)nc1C
InChIInChI=1S/C11H12N4O2S/c1-5-4-13-7(6(2)14-5)8-9(10(16)17-3)18-11(12)15-8/h4H,1-3H3,(H2,12,15)
InChIKeyUUGVLCWUBAVYSU-UHFFFAOYSA-N
XLogP1.59
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134143796
Propan-2-yl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156427
Ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
CID 59864657
2-(Diaminomethyleneamino)-4-(5-methoxycarbonylpyridin-3-yl)thiazole
CID 10468734
Ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 58075094
Ethyl 2-chloro-4-(pyrazin-2-yl)thiazole-5-carboxylate
CID 59864583
Methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864587
Methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864615
Methyl 2-amino-4-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864650
Ethyl 2-amino-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864655
Ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate
CID 59864705
Ethyl 2-amino-4-(pyrazin-2-yl)thiazole-5-carboxylate
CID 59864748

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (CID 59864704) is methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1-c1ncc(C)nc1C.
What is the InChIKey of methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is UUGVLCWUBAVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-5-4-13-7(6(2)14-5)8-9(10(16)17-3)18-11(12)15-8/h4H,1-3H3,(H2,12,15).
What are the key properties of methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).