[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

C16H20N2O2S — CID 60956763

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
SMILESO=C(C1CSC(c2ccccc2)=N1)N1CCC(CO)CC1
InChIInChI=1S/C16H20N2O2S/c19-10-12-6-8-18(9-7-12)16(20)14-11-21-15(17-14)13-4-2-1-3-5-13/h1-5,12,14,19H,6-11H2
InChIKeySAQCVCMITXLVGJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.78
Rot. Bonds3

About [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone (PubChem CID 60956763) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
PubChem CID60956763
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
SMILESO=C(C1CSC(c2ccccc2)=N1)N1CCC(CO)CC1
InChIInChI=1S/C16H20N2O2S/c19-10-12-6-8-18(9-7-12)16(20)14-11-21-15(17-14)13-4-2-1-3-5-13/h1-5,12,14,19H,6-11H2
InChIKeySAQCVCMITXLVGJ-UHFFFAOYSA-N
XLogP1.78
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone (CID 60956763) is [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone is O=C(C1CSC(c2ccccc2)=N1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The InChIKey is SAQCVCMITXLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-10-12-6-8-18(9-7-12)16(20)14-11-21-15(17-14)13-4-2-1-3-5-13/h1-5,12,14,19H,6-11H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone has a molecular weight of 304.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 60956763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).