4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid

C11H12N4O2S — CID 80570031

IUPAC4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cnc(CNc2nc(C)c(C(=O)O)s2)cn1
InChIInChI=1S/C11H12N4O2S/c1-6-3-13-8(4-12-6)5-14-11-15-7(2)9(18-11)10(16)17/h3-4H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFPGHVSRMITYQCD-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.86
Rot. Bonds4

About 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570031) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570031
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cnc(CNc2nc(C)c(C(=O)O)s2)cn1
InChIInChI=1S/C11H12N4O2S/c1-6-3-13-8(4-12-6)5-14-11-15-7(2)9(18-11)10(16)17/h3-4H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFPGHVSRMITYQCD-UHFFFAOYSA-N
XLogP1.86
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 114702177
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
2-[(4-bromothiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570644
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82745641
4-methyl-2-[(4-phenylmethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149376
methyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80569959
4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149279
2-[(2-hydroxynaphthalen-1-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149242
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 141096674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid (CID 80570031) is 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid is Cc1cnc(CNc2nc(C)c(C(=O)O)s2)cn1.
What is the InChIKey of 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FPGHVSRMITYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-3-13-8(4-12-6)5-14-11-15-7(2)9(18-11)10(16)17/h3-4H,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).