4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride

C9H8ClN3O2S — CID 130222186

IUPAC4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc(-c2cnccn2)sc1C(=O)O.Cl
InChIInChI=1S/C9H7N3O2S.ClH/c1-5-7(9(13)14)15-8(12-5)6-4-10-2-3-11-6;/h2-4H,1H3,(H,13,14);1H
InChIKeyLLWNDOWVERQVFC-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.03
Rot. Bonds2

About 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride

4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 130222186) has the molecular formula C9H8ClN3O2S and a molecular weight of 257.70 g/mol. Its IUPAC name is 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID130222186
Molecular FormulaC9H8ClN3O2S
Molecular Weight257.70 g/mol
Exact Mass257.00
IUPAC Name4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc(-c2cnccn2)sc1C(=O)O.Cl
InChIInChI=1S/C9H7N3O2S.ClH/c1-5-7(9(13)14)15-8(12-5)6-4-10-2-3-11-6;/h2-4H,1H3,(H,13,14);1H
InChIKeyLLWNDOWVERQVFC-UHFFFAOYSA-N
XLogP2.03
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 130222186) is 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride is Cc1nc(-c2cnccn2)sc1C(=O)O.Cl.
What is the InChIKey of 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is LLWNDOWVERQVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S.ClH/c1-5-7(9(13)14)15-8(12-5)6-4-10-2-3-11-6;/h2-4H,1H3,(H,13,14);1H.
What are the key properties of 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride?
4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 257.70 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 130222186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).