4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride

C9H9ClN2S — CID 54605031

IUPAC4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1csc(-c2ccncc2)n1.Cl
InChIInChI=1S/C9H8N2S.ClH/c1-7-6-12-9(11-7)8-2-4-10-5-3-8;/h2-6H,1H3;1H
InChIKeyAUSNDQWKSYHTTN-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.94
Rot. Bonds1

About 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride

4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 54605031) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
PubChem CID54605031
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1csc(-c2ccncc2)n1.Cl
InChIInChI=1S/C9H8N2S.ClH/c1-7-6-12-9(11-7)8-2-4-10-5-3-8;/h2-6H,1H3;1H
InChIKeyAUSNDQWKSYHTTN-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride (CID 54605031) is 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride is Cc1csc(-c2ccncc2)n1.Cl.
What is the InChIKey of 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is AUSNDQWKSYHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S.ClH/c1-7-6-12-9(11-7)8-2-4-10-5-3-8;/h2-6H,1H3;1H.
What are the key properties of 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 212.71 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 54605031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).