2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine

C10H17N3OS — CID 102768489

IUPAC2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCOC2CCCC2)s1
InChIInChI=1S/C10H17N3OS/c11-9-7-13-10(15-9)12-5-6-14-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,12,13)
InChIKeyULEINBZINZMPIK-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.10
Rot. Bonds5

About 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine

2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768489) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
PubChem CID102768489
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCOC2CCCC2)s1
InChIInChI=1S/C10H17N3OS/c11-9-7-13-10(15-9)12-5-6-14-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,12,13)
InChIKeyULEINBZINZMPIK-UHFFFAOYSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine (CID 102768489) is 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine is Nc1cnc(NCCOC2CCCC2)s1.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is ULEINBZINZMPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-9-7-13-10(15-9)12-5-6-14-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,12,13).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine?
2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 227.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).