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

C11H19N3OS — CID 106379972

IUPAC4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCN1CCCCC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3OS/c1-14-5-3-2-4-10(14)7-12-6-9-8-16-11(15)13-9/h8,10,12H,2-7H2,1H3,(H,13,15)
InChIKeyYVUJTLJJWDZQKV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.01
Rot. Bonds4

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

4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379972) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379972
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCN1CCCCC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3OS/c1-14-5-3-2-4-10(14)7-12-6-9-8-16-11(15)13-9/h8,10,12H,2-7H2,1H3,(H,13,15)
InChIKeyYVUJTLJJWDZQKV-UHFFFAOYSA-N
XLogP1.01
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379972) is 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CN1CCCCC1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YVUJTLJJWDZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14-5-3-2-4-10(14)7-12-6-9-8-16-11(15)13-9/h8,10,12H,2-7H2,1H3,(H,13,15).
What are the key properties of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).