2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one

C10H14N2OS — CID 62052814

IUPAC2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one
SMILESCN(Cc1cscn1)C1CCCC1=O
InChIInChI=1S/C10H14N2OS/c1-12(5-8-6-14-7-11-8)9-3-2-4-10(9)13/h6-7,9H,2-5H2,1H3
InChIKeyYAWHUBSLKVLLNU-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.70
Rot. Bonds3

About 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one

2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one (PubChem CID 62052814) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one
PubChem CID62052814
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one
SMILESCN(Cc1cscn1)C1CCCC1=O
InChIInChI=1S/C10H14N2OS/c1-12(5-8-6-14-7-11-8)9-3-2-4-10(9)13/h6-7,9H,2-5H2,1H3
InChIKeyYAWHUBSLKVLLNU-UHFFFAOYSA-N
XLogP1.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one?
The IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one (CID 62052814) is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one.
What is the SMILES notation for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one?
The canonical SMILES for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one is CN(Cc1cscn1)C1CCCC1=O.
What is the InChIKey of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one?
The InChIKey is YAWHUBSLKVLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-12(5-8-6-14-7-11-8)9-3-2-4-10(9)13/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one?
2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one has a molecular weight of 210.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one is sourced from PubChem (CID 62052814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).