[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone

C9H12N2OS — CID 130918603

IUPAC[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone
SMILESCNC1(C(=O)c2ccsn2)CCC1
InChIInChI=1S/C9H12N2OS/c1-10-9(4-2-5-9)8(12)7-3-6-13-11-7/h3,6,10H,2,4-5H2,1H3
InChIKeyKFFXTAKAWAIQDG-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.47
Rot. Bonds3

About [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone

[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone (PubChem CID 130918603) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone
PubChem CID130918603
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone
SMILESCNC1(C(=O)c2ccsn2)CCC1
InChIInChI=1S/C9H12N2OS/c1-10-9(4-2-5-9)8(12)7-3-6-13-11-7/h3,6,10H,2,4-5H2,1H3
InChIKeyKFFXTAKAWAIQDG-UHFFFAOYSA-N
XLogP1.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone?
The IUPAC name of [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone (CID 130918603) is [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone?
The canonical SMILES for [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone is CNC1(C(=O)c2ccsn2)CCC1.
What is the InChIKey of [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone?
The InChIKey is KFFXTAKAWAIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-10-9(4-2-5-9)8(12)7-3-6-13-11-7/h3,6,10H,2,4-5H2,1H3.
What are the key properties of [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone?
[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone has a molecular weight of 196.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 130918603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).