4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one

C11H18N2OS — CID 106379831

IUPAC4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H18N2OS/c1-2-8-4-3-5-10(8)12-6-9-7-15-11(14)13-9/h7-8,10,12H,2-6H2,1H3,(H,13,14)
InChIKeyPOGFSTRDEHCPQU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds4

About 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379831) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379831
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H18N2OS/c1-2-8-4-3-5-10(8)12-6-9-7-15-11(14)13-9/h7-8,10,12H,2-6H2,1H3,(H,13,14)
InChIKeyPOGFSTRDEHCPQU-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379831) is 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is CCC1CCCC1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is POGFSTRDEHCPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-8-4-3-5-10(8)12-6-9-7-15-11(14)13-9/h7-8,10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).