6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid

C10H10N4O2S — CID 66450849

IUPAC6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1ncc(CNc2cncc(C(=O)O)n2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-12-2-7(17-6)3-13-9-5-11-4-8(14-9)10(15)16/h2,4-5H,3H2,1H3,(H,13,14)(H,15,16)
InChIKeyZBYURTQQCVSOPY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid

6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 66450849) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID66450849
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1ncc(CNc2cncc(C(=O)O)n2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-12-2-7(17-6)3-13-9-5-11-4-8(14-9)10(15)16/h2,4-5H,3H2,1H3,(H,13,14)(H,15,16)
InChIKeyZBYURTQQCVSOPY-UHFFFAOYSA-N
XLogP1.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 66451675
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 55107887
6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 66451239
6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
CID 116644352
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
6-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035828
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 66456798
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115925258
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid (CID 66450849) is 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid is Cc1ncc(CNc2cncc(C(=O)O)n2)s1.
What is the InChIKey of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is ZBYURTQQCVSOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-12-2-7(17-6)3-13-9-5-11-4-8(14-9)10(15)16/h2,4-5H,3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).