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

C10H16N2OS — CID 106379919

IUPAC4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C10H16N2OS/c1-7-2-3-8(4-7)11-5-9-6-14-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyLIXNUOYUAAMUAD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.71
Rot. Bonds3

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

4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379919) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379919
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C10H16N2OS/c1-7-2-3-8(4-7)11-5-9-6-14-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyLIXNUOYUAAMUAD-UHFFFAOYSA-N
XLogP1.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379919) is 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is CC1CCC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LIXNUOYUAAMUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-2-3-8(4-7)11-5-9-6-14-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).