4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C13H23N3OS — CID 106381767

IUPAC4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C13H23N3OS/c1-2-3-13(4-6-14-7-5-13)10-15-8-11-9-18-12(17)16-11/h9,14-15H,2-8,10H2,1H3,(H,16,17)
InChIKeyGCRBUAXEQXXEGP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.70
Rot. Bonds6

About 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381767) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381767
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C13H23N3OS/c1-2-3-13(4-6-14-7-5-13)10-15-8-11-9-18-12(17)16-11/h9,14-15H,2-8,10H2,1H3,(H,16,17)
InChIKeyGCRBUAXEQXXEGP-UHFFFAOYSA-N
XLogP1.70
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381767) is 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CCCC1(CNCc2csc(=O)[nH]2)CCNCC1.
What is the InChIKey of 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GCRBUAXEQXXEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-2-3-13(4-6-14-7-5-13)10-15-8-11-9-18-12(17)16-11/h9,14-15H,2-8,10H2,1H3,(H,16,17).
What are the key properties of 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 269.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).