3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid

C9H8N4O2S — CID 62709979

IUPAC3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1nccs1
InChIInChI=1S/C9H8N4O2S/c14-9(15)7-8(12-2-1-11-7)13-5-6-10-3-4-16-6/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyQMXVSRZGQJNKJE-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.24
Rot. Bonds4

About 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid

3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 62709979) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID62709979
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCc1nccs1
InChIInChI=1S/C9H8N4O2S/c14-9(15)7-8(12-2-1-11-7)13-5-6-10-3-4-16-6/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyQMXVSRZGQJNKJE-UHFFFAOYSA-N
XLogP1.24
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776
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
4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
CID 62406409
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
CID 115408711
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455530
3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
CID 106897804
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 62709979) is 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is QMXVSRZGQJNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-9(15)7-8(12-2-1-11-7)13-5-6-10-3-4-16-6/h1-4H,5H2,(H,12,13)(H,14,15).
What are the key properties of 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 236.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).