methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate

C16H19N3O2S — CID 71861442

IUPACmethyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H19N3O2S/c1-21-16(20)14-7-3-5-9-19(14)10-12-11-22-15(18-12)13-6-2-4-8-17-13/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3/t14-/m1/s1
InChIKeyIPSCLUNITKTSRG-CQSZACIVSA-N
MW317.41 g/mol
LogP2.73
Rot. Bonds4

About methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate (PubChem CID 71861442) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
PubChem CID71861442
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Namemethyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H19N3O2S/c1-21-16(20)14-7-3-5-9-19(14)10-12-11-22-15(18-12)13-6-2-4-8-17-13/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3/t14-/m1/s1
InChIKeyIPSCLUNITKTSRG-CQSZACIVSA-N
XLogP2.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
methyl 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55513102
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370396
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 84592566
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole
CID 86916384
methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate
CID 95239854
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 126792905
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate (CID 71861442) is methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1csc(-c2ccccn2)n1.
What is the InChIKey of methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
The InChIKey is IPSCLUNITKTSRG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-16(20)14-7-3-5-9-19(14)10-12-11-22-15(18-12)13-6-2-4-8-17-13/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 71861442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).