[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C18H23N3O2S — CID 174594323

IUPAC[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC[C@@H]1c1csc(-c2cccnc2)n1
InChIInChI=1S/C18H23N3O2S/c1-18(2,3)17(22)23-21-10-5-4-8-15(21)14-12-24-16(20-14)13-7-6-9-19-11-13/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3/t15-/m1/s1
InChIKeyVRFDRKVSPHEDCG-OAHLLOKOSA-N
MW345.47 g/mol
LogP4.24
Rot. Bonds3

About [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174594323) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174594323
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC[C@@H]1c1csc(-c2cccnc2)n1
InChIInChI=1S/C18H23N3O2S/c1-18(2,3)17(22)23-21-10-5-4-8-15(21)14-12-24-16(20-14)13-7-6-9-19-11-13/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3/t15-/m1/s1
InChIKeyVRFDRKVSPHEDCG-OAHLLOKOSA-N
XLogP4.24
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174594323) is [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCCC[C@@H]1c1csc(-c2cccnc2)n1.
What is the InChIKey of [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is VRFDRKVSPHEDCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-18(2,3)17(22)23-21-10-5-4-8-15(21)14-12-24-16(20-14)13-7-6-9-19-11-13/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 345.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174594323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).