N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine

C10H16N2OS — CID 46784919

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C10H16N2OS/c1-13-6-5-11-7-10-12-8-3-2-4-9(8)14-10/h11H,2-7H2,1H3
InChIKeyJBVJFPWHAHEBMF-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.37
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine (PubChem CID 46784919) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine
PubChem CID46784919
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C10H16N2OS/c1-13-6-5-11-7-10-12-8-3-2-4-9(8)14-10/h11H,2-7H2,1H3
InChIKeyJBVJFPWHAHEBMF-UHFFFAOYSA-N
XLogP1.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine (CID 46784919) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine is COCCNCc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is JBVJFPWHAHEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-13-6-5-11-7-10-12-8-3-2-4-9(8)14-10/h11H,2-7H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 46784919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).