[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone

C19H24N2O2S — CID 124844780

IUPAC[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone
SMILESCc1cccc([C@H]2CCCCN2C(=O)c2cnc([C@@H](C)O)s2)c1C
InChIInChI=1S/C19H24N2O2S/c1-12-7-6-8-15(13(12)2)16-9-4-5-10-21(16)19(23)17-11-20-18(24-17)14(3)22/h6-8,11,14,16,22H,4-5,9-10H2,1-3H3/t14-,16-/m1/s1
InChIKeyGVOVRLKAZJNKLC-GDBMZVCRSA-N
MW344.48 g/mol
LogP4.18
Rot. Bonds3

About [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone

[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone (PubChem CID 124844780) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone
PubChem CID124844780
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone
SMILESCc1cccc([C@H]2CCCCN2C(=O)c2cnc([C@@H](C)O)s2)c1C
InChIInChI=1S/C19H24N2O2S/c1-12-7-6-8-15(13(12)2)16-9-4-5-10-21(16)19(23)17-11-20-18(24-17)14(3)22/h6-8,11,14,16,22H,4-5,9-10H2,1-3H3/t14-,16-/m1/s1
InChIKeyGVOVRLKAZJNKLC-GDBMZVCRSA-N
XLogP4.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone (CID 124844780) is [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone is Cc1cccc([C@H]2CCCCN2C(=O)c2cnc([C@@H](C)O)s2)c1C.
What is the InChIKey of [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone?
The InChIKey is GVOVRLKAZJNKLC-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12-7-6-8-15(13(12)2)16-9-4-5-10-21(16)19(23)17-11-20-18(24-17)14(3)22/h6-8,11,14,16,22H,4-5,9-10H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone?
[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-[2-[(1R)-1-hydroxyethyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 124844780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).