1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

C13H20N2OS — CID 114109609

IUPAC1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCCC1(CNc2snc(C)c2C(C)=O)CCC1
InChIInChI=1S/C13H20N2OS/c1-4-13(6-5-7-13)8-14-12-11(10(3)16)9(2)15-17-12/h14H,4-8H2,1-3H3
InChIKeyFRXZEKBMWOZDGO-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.65
Rot. Bonds5

About 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 114109609) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID114109609
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCCC1(CNc2snc(C)c2C(C)=O)CCC1
InChIInChI=1S/C13H20N2OS/c1-4-13(6-5-7-13)8-14-12-11(10(3)16)9(2)15-17-12/h14H,4-8H2,1-3H3
InChIKeyFRXZEKBMWOZDGO-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 114109609) is 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is CCC1(CNc2snc(C)c2C(C)=O)CCC1.
What is the InChIKey of 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is FRXZEKBMWOZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-13(6-5-7-13)8-14-12-11(10(3)16)9(2)15-17-12/h14H,4-8H2,1-3H3.
What are the key properties of 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 114109609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).