4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

C15H17ClF2N2S — CID 120558206

IUPAC4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1cc(F)c(-c2csc(C3CCNCC3)n2)cc1F.Cl
InChIInChI=1S/C15H16F2N2S.ClH/c1-9-6-13(17)11(7-12(9)16)14-8-20-15(19-14)10-2-4-18-5-3-10;/h6-8,10,18H,2-5H2,1H3;1H
InChIKeyAQCXDMWVTIUIHY-UHFFFAOYSA-N
MW330.83 g/mol
LogP4.29
Rot. Bonds2

About 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 120558206) has the molecular formula C15H17ClF2N2S and a molecular weight of 330.83 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID120558206
Molecular FormulaC15H17ClF2N2S
Molecular Weight330.83 g/mol
Exact Mass330.08
IUPAC Name4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1cc(F)c(-c2csc(C3CCNCC3)n2)cc1F.Cl
InChIInChI=1S/C15H16F2N2S.ClH/c1-9-6-13(17)11(7-12(9)16)14-8-20-15(19-14)10-2-4-18-5-3-10;/h6-8,10,18H,2-5H2,1H3;1H
InChIKeyAQCXDMWVTIUIHY-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 120558206) is 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is Cc1cc(F)c(-c2csc(C3CCNCC3)n2)cc1F.Cl.
What is the InChIKey of 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is AQCXDMWVTIUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S.ClH/c1-9-6-13(17)11(7-12(9)16)14-8-20-15(19-14)10-2-4-18-5-3-10;/h6-8,10,18H,2-5H2,1H3;1H.
What are the key properties of 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120558206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).