2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one

C11H16N2OS — CID 63836792

IUPAC2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one
SMILESCc1ncsc1CN(C)C1CCCC1=O
InChIInChI=1S/C11H16N2OS/c1-8-11(15-7-12-8)6-13(2)9-4-3-5-10(9)14/h7,9H,3-6H2,1-2H3
InChIKeyZMMBINVEFFVYBX-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.00
Rot. Bonds3

About 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one (PubChem CID 63836792) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one
PubChem CID63836792
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one
SMILESCc1ncsc1CN(C)C1CCCC1=O
InChIInChI=1S/C11H16N2OS/c1-8-11(15-7-12-8)6-13(2)9-4-3-5-10(9)14/h7,9H,3-6H2,1-2H3
InChIKeyZMMBINVEFFVYBX-UHFFFAOYSA-N
XLogP2.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 137984457
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2,3-dione
CID 63280483
2-Methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63280791
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63281156
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-one
CID 63281157
3-Methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63281158
8-[(4-Methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 63284710
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63821767
4-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-2-one
CID 63822332
2-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanamide
CID 63822334
(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 63836370
1-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one
CID 63836790

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one?
The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one (CID 63836792) is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one.
What is the SMILES notation for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one?
The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one is Cc1ncsc1CN(C)C1CCCC1=O.
What is the InChIKey of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one?
The InChIKey is ZMMBINVEFFVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-11(15-7-12-8)6-13(2)9-4-3-5-10(9)14/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one?
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one has a molecular weight of 224.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one is sourced from PubChem (CID 63836792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).