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

C10H18N2OS — CID 63296247

IUPAC5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H18N2OS/c1-2-13-6-5-11-10-12-7-9(14-10)8-3-4-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyLJULSQUZYHOTQX-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.49
Rot. Bonds5

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

5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296247) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296247
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H18N2OS/c1-2-13-6-5-11-10-12-7-9(14-10)8-3-4-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyLJULSQUZYHOTQX-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.49
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 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296247) is 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is CCOCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LJULSQUZYHOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-13-6-5-11-10-12-7-9(14-10)8-3-4-8/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).