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

C11H18N2OS — CID 106379622

IUPAC4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H18N2OS/c1-7(2)8-3-9(4-8)12-5-10-6-15-11(14)13-10/h6-9,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyOKNLVLFBCGZNQA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.96
Rot. Bonds4

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

4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379622) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379622
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H18N2OS/c1-7(2)8-3-9(4-8)12-5-10-6-15-11(14)13-10/h6-9,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyOKNLVLFBCGZNQA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclobutylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379619
4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379645
4-[[(4-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379658
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379682
4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379683
4-[(cycloheptylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379696
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-[(hexylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379752
4-[[(3,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379760
4-[[(2-methylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379761
4-[[(3,5-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379785

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379622) is 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)C1CC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OKNLVLFBCGZNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(2)8-3-9(4-8)12-5-10-6-15-11(14)13-10/h6-9,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).