N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide

C11H17N3OS — CID 110460384

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C11H17N3OS/c1-12-7-10(15)13-6-5-11-14-8-3-2-4-9(8)16-11/h12H,2-7H2,1H3,(H,13,15)
InChIKeyOBHQWMHROAILNG-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.51
Rot. Bonds5

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide (PubChem CID 110460384) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide
PubChem CID110460384
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C11H17N3OS/c1-12-7-10(15)13-6-5-11-14-8-3-2-4-9(8)16-11/h12H,2-7H2,1H3,(H,13,15)
InChIKeyOBHQWMHROAILNG-UHFFFAOYSA-N
XLogP0.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide (CID 110460384) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCc1nc2c(s1)CCC2.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide?
The InChIKey is OBHQWMHROAILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-12-7-10(15)13-6-5-11-14-8-3-2-4-9(8)16-11/h12H,2-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide has a molecular weight of 239.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 110460384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).