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

C11H16N2OS — CID 110459281

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C11H16N2OS/c1-2-10(14)12-7-6-11-13-8-4-3-5-9(8)15-11/h2-7H2,1H3,(H,12,14)
InChIKeyVXWDMCOVUKVVKM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.70
Rot. Bonds4

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

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide (PubChem CID 110459281) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
PubChem CID110459281
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C11H16N2OS/c1-2-10(14)12-7-6-11-13-8-4-3-5-9(8)15-11/h2-7H2,1H3,(H,12,14)
InChIKeyVXWDMCOVUKVVKM-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]propanamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide (CID 110459281) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide is CCC(=O)NCCc1nc2c(s1)CCC2.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
The InChIKey is VXWDMCOVUKVVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-10(14)12-7-6-11-13-8-4-3-5-9(8)15-11/h2-7H2,1H3,(H,12,14).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide has a molecular weight of 224.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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]propanamide is sourced from PubChem (CID 110459281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).