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

C16H18N2O2S — CID 126424898

IUPAC[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@H]1CO
InChIInChI=1S/C16H18N2O2S/c19-11-14-3-1-2-9-18(14)16(20)13-6-4-12(5-7-13)15-17-8-10-21-15/h4-8,10,14,19H,1-3,9,11H2/t14-/m0/s1
InChIKeyWERCPQLXJABWKB-AWEZNQCLSA-N
MW302.40 g/mol
LogP2.80
Rot. Bonds3

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

[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 126424898) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID126424898
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@H]1CO
InChIInChI=1S/C16H18N2O2S/c19-11-14-3-1-2-9-18(14)16(20)13-6-4-12(5-7-13)15-17-8-10-21-15/h4-8,10,14,19H,1-3,9,11H2/t14-/m0/s1
InChIKeyWERCPQLXJABWKB-AWEZNQCLSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone (CID 126424898) is [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is WERCPQLXJABWKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-11-14-3-1-2-9-18(14)16(20)13-6-4-12(5-7-13)15-17-8-10-21-15/h4-8,10,14,19H,1-3,9,11H2/t14-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 126424898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).