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

C12H21N3OS — CID 114181547

IUPAC4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C12H21N3OS/c1-2-12(3-5-13-6-4-12)9-14-7-10-8-17-11(16)15-10/h8,13-14H,2-7,9H2,1H3,(H,15,16)
InChIKeyUNFIZFAWGOQQLW-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.31
Rot. Bonds5

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

4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181547) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181547
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C12H21N3OS/c1-2-12(3-5-13-6-4-12)9-14-7-10-8-17-11(16)15-10/h8,13-14H,2-7,9H2,1H3,(H,15,16)
InChIKeyUNFIZFAWGOQQLW-UHFFFAOYSA-N
XLogP1.31
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 114181547) is 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CCC1(CNCc2csc(=O)[nH]2)CCNCC1.
What is the InChIKey of 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UNFIZFAWGOQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-12(3-5-13-6-4-12)9-14-7-10-8-17-11(16)15-10/h8,13-14H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).