1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol

C16H19ClN2OS — CID 80703333

IUPAC1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H19ClN2OS/c1-16(20)6-8-19(9-7-16)10-12-11-21-15(18-12)13-4-2-3-5-14(13)17/h2-5,11,20H,6-10H2,1H3
InChIKeyICSSZLRDUXQMGD-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.81
Rot. Bonds3

About 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol

1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol (PubChem CID 80703333) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
PubChem CID80703333
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H19ClN2OS/c1-16(20)6-8-19(9-7-16)10-12-11-21-15(18-12)13-4-2-3-5-14(13)17/h2-5,11,20H,6-10H2,1H3
InChIKeyICSSZLRDUXQMGD-UHFFFAOYSA-N
XLogP3.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol (CID 80703333) is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is ICSSZLRDUXQMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-16(20)6-8-19(9-7-16)10-12-11-21-15(18-12)13-4-2-3-5-14(13)17/h2-5,11,20H,6-10H2,1H3.
What are the key properties of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol?
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 322.86 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80703333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).