N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H18N2OS — CID 63828631

IUPACN-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(OCCNC2=NCCS2)C1
InChIInChI=1S/C10H18N2OS/c1-2-4-9(3-1)13-7-5-11-10-12-6-8-14-10/h9H,1-8H2,(H,11,12)
InChIKeyOTRNBCYKDHKPAS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.64
Rot. Bonds4

About N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63828631) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63828631
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(OCCNC2=NCCS2)C1
InChIInChI=1S/C10H18N2OS/c1-2-4-9(3-1)13-7-5-11-10-12-6-8-14-10/h9H,1-8H2,(H,11,12)
InChIKeyOTRNBCYKDHKPAS-UHFFFAOYSA-N
XLogP1.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.64
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-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63828631) is N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CCC(OCCNC2=NCCS2)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OTRNBCYKDHKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-4-9(3-1)13-7-5-11-10-12-6-8-14-10/h9H,1-8H2,(H,11,12).
What are the key properties of N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63828631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).