1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

C11H16N2OS — CID 116591347

IUPAC1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)CC2(N)CCC2)n1
InChIInChI=1S/C11H16N2OS/c1-8-7-15-10(13-8)5-9(14)6-11(12)3-2-4-11/h7H,2-6,12H2,1H3
InChIKeyUGEGASVZJXVSBR-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.83
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 116591347) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID116591347
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)CC2(N)CCC2)n1
InChIInChI=1S/C11H16N2OS/c1-8-7-15-10(13-8)5-9(14)6-11(12)3-2-4-11/h7H,2-6,12H2,1H3
InChIKeyUGEGASVZJXVSBR-UHFFFAOYSA-N
XLogP1.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116604713
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
1-(1-ethoxycycloheptyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116750853
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
CID 131842856
CID 131842856
1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116748212
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 116555711
1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine
CID 64682059
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 116591347) is 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)CC2(N)CCC2)n1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is UGEGASVZJXVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-7-15-10(13-8)5-9(14)6-11(12)3-2-4-11/h7H,2-6,12H2,1H3.
What are the key properties of 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 116591347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).