1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C13H20N2OS — CID 116584290

IUPAC1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)C2CCCC2CN)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)6-12(16)11-5-3-4-10(11)7-14/h10-11H,3-7,14H2,1-2H3
InChIKeyWJOLEFQSSZTFOQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116584290) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID116584290
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)C2CCCC2CN)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)6-12(16)11-5-3-4-10(11)7-14/h10-11H,3-7,14H2,1-2H3
InChIKeyWJOLEFQSSZTFOQ-UHFFFAOYSA-N
XLogP2.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 116584290) is 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)C2CCCC2CN)sc1C.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is WJOLEFQSSZTFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)6-12(16)11-5-3-4-10(11)7-14/h10-11H,3-7,14H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116584290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).