(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

C18H23N3O2S — CID 125171269

IUPAC(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-3-15-20-12(2)17(24-15)18(23)21-10-7-13(8-11-21)16(22)14-6-4-5-9-19-14/h4-6,9,13,16,22H,3,7-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyPHQGMEGMAMYJJX-MRXNPFEDSA-N
MW345.47 g/mol
LogP2.99
Rot. Bonds4

About (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 125171269) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID125171269
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-3-15-20-12(2)17(24-15)18(23)21-10-7-13(8-11-21)16(22)14-6-4-5-9-19-14/h4-6,9,13,16,22H,3,7-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyPHQGMEGMAMYJJX-MRXNPFEDSA-N
XLogP2.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-amino-4-methylpyrimidin-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99947231
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758560
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 49318983

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (CID 125171269) is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)s1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is PHQGMEGMAMYJJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-15-20-12(2)17(24-15)18(23)21-10-7-13(8-11-21)16(22)14-6-4-5-9-19-14/h4-6,9,13,16,22H,3,7-8,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125171269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).