1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol

C16H20N2OS — CID 110921340

IUPAC1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
SMILESCc1nc(-c2ccccc2)sc1CN1CCC(O)CC1
InChIInChI=1S/C16H20N2OS/c1-12-15(11-18-9-7-14(19)8-10-18)20-16(17-12)13-5-3-2-4-6-13/h2-6,14,19H,7-11H2,1H3
InChIKeyFMQJITVSIZRQPH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.08
Rot. Bonds3

About 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol

1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol (PubChem CID 110921340) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
PubChem CID110921340
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
SMILESCc1nc(-c2ccccc2)sc1CN1CCC(O)CC1
InChIInChI=1S/C16H20N2OS/c1-12-15(11-18-9-7-14(19)8-10-18)20-16(17-12)13-5-3-2-4-6-13/h2-6,14,19H,7-11H2,1H3
InChIKeyFMQJITVSIZRQPH-UHFFFAOYSA-N
XLogP3.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol (CID 110921340) is 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol is Cc1nc(-c2ccccc2)sc1CN1CCC(O)CC1.
What is the InChIKey of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is FMQJITVSIZRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-15(11-18-9-7-14(19)8-10-18)20-16(17-12)13-5-3-2-4-6-13/h2-6,14,19H,7-11H2,1H3.
What are the key properties of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol?
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 288.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 110921340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).