5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2O2S — CID 63296526

IUPAC5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCOCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2O2S/c1-14-6-7-15-5-4-12-11-13-8-10(16-11)9-2-3-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyNEXILUHYKISZKV-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.12
Rot. Bonds7

About 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296526) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296526
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCOCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2O2S/c1-14-6-7-15-5-4-12-11-13-8-10(16-11)9-2-3-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyNEXILUHYKISZKV-UHFFFAOYSA-N
XLogP1.12
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63828097
5-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105916890
5-pentan-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106285293
5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154415
N-[2-(2,2-difluoroethoxy)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114128335
N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114168436
N-(1-ethoxypropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61850076
N-[2-(2-methoxyethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61850693
5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296247
Ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 63296343
5-cyclopropyl-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296427
5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296479

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296526) is 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is COCCOCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NEXILUHYKISZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-14-6-7-15-5-4-12-11-13-8-10(16-11)9-2-3-9/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).