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

C11H18N2OS — CID 106380528

IUPAC4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H18N2OS/c1-11(2)5-3-4-9(11)12-6-8-7-15-10(14)13-8/h7,9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUXPVUOZAFJKZHI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds3

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

4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380528) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380528
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H18N2OS/c1-11(2)5-3-4-9(11)12-6-8-7-15-10(14)13-8/h7,9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUXPVUOZAFJKZHI-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

4-[1-(ethylamino)-6,6-dimethylheptyl]-3H-1,3-thiazol-2-one
CID 68097248
4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379611
4,4-dimethyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanenitrile
CID 106379618
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379622
4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379645
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379699
4-[(1-cyclohexylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379738
4-[[(2-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379761
4-[(1-cyclopentylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379826
4-[[(2-ethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379831
4-[[(4,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379857
4-[(5-methylhexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379893

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380528) is 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is CC1(C)CCCC1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UXPVUOZAFJKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2)5-3-4-9(11)12-6-8-7-15-10(14)13-8/h7,9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).