3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide

C14H23N3O2S — CID 120576385

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1sc(=O)n(CCC(=O)NC2CCCNC2C)c1C
InChIInChI=1S/C14H23N3O2S/c1-9-12(5-4-7-15-9)16-13(18)6-8-17-10(2)11(3)20-14(17)19/h9,12,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyGENBTXNAMDRYQL-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.17
Rot. Bonds4

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120576385) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120576385
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1sc(=O)n(CCC(=O)NC2CCCNC2C)c1C
InChIInChI=1S/C14H23N3O2S/c1-9-12(5-4-7-15-9)16-13(18)6-8-17-10(2)11(3)20-14(17)19/h9,12,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyGENBTXNAMDRYQL-UHFFFAOYSA-N
XLogP1.17
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120576385) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide is Cc1sc(=O)n(CCC(=O)NC2CCCNC2C)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is GENBTXNAMDRYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-12(5-4-7-15-9)16-13(18)6-8-17-10(2)11(3)20-14(17)19/h9,12,15H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 297.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120576385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).