4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride

C16H21ClN2OS — CID 71319327

IUPAC4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
SMILESCOc1ccc(-c2csc(C3CCN(C)CC3)n2)cc1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-18-9-7-13(8-10-18)16-17-15(11-20-16)12-3-5-14(19-2)6-4-12;/h3-6,11,13H,7-10H2,1-2H3;1H
InChIKeyGJXKCISWTQQNHE-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride

4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride (PubChem CID 71319327) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
PubChem CID71319327
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
SMILESCOc1ccc(-c2csc(C3CCN(C)CC3)n2)cc1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-18-9-7-13(8-10-18)16-17-15(11-20-16)12-3-5-14(19-2)6-4-12;/h3-6,11,13H,7-10H2,1-2H3;1H
InChIKeyGJXKCISWTQQNHE-UHFFFAOYSA-N
XLogP4.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride (CID 71319327) is 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride is COc1ccc(-c2csc(C3CCN(C)CC3)n2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
The InChIKey is GJXKCISWTQQNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-18-9-7-13(8-10-18)16-17-15(11-20-16)12-3-5-14(19-2)6-4-12;/h3-6,11,13H,7-10H2,1-2H3;1H.
What are the key properties of 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71319327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).