4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C16H19N3O2S — CID 70755324

IUPAC4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCCC2c2nccs2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-10-9-11(2)18-14(20)13(10)16(21)19-7-4-3-5-12(19)15-17-6-8-22-15/h6,8-9,12H,3-5,7H2,1-2H3,(H,18,20)
InChIKeyPTDGSJZFMJZJKD-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.82
Rot. Bonds2

About 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70755324) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70755324
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCCC2c2nccs2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-10-9-11(2)18-14(20)13(10)16(21)19-7-4-3-5-12(19)15-17-6-8-22-15/h6,8-9,12H,3-5,7H2,1-2H3,(H,18,20)
InChIKeyPTDGSJZFMJZJKD-UHFFFAOYSA-N
XLogP2.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70755324) is 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCCCC2c2nccs2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PTDGSJZFMJZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-9-11(2)18-14(20)13(10)16(21)19-7-4-3-5-12(19)15-17-6-8-22-15/h6,8-9,12H,3-5,7H2,1-2H3,(H,18,20).
What are the key properties of 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 317.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70755324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).