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

C6H12N2OS — CID 29068043

IUPACN-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCNC1=NCCS1
InChIInChI=1S/C6H12N2OS/c1-9-4-2-7-6-8-3-5-10-6/h2-5H2,1H3,(H,7,8)
InChIKeyXATYRJFFHWIPBK-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.33
Rot. Bonds3

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

N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068043) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068043
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCNC1=NCCS1
InChIInChI=1S/C6H12N2OS/c1-9-4-2-7-6-8-3-5-10-6/h2-5H2,1H3,(H,7,8)
InChIKeyXATYRJFFHWIPBK-UHFFFAOYSA-N
XLogP0.33
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.33
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-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068043) is N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCNC1=NCCS1.
What is the InChIKey of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XATYRJFFHWIPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-9-4-2-7-6-8-3-5-10-6/h2-5H2,1H3,(H,7,8).
What are the key properties of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 160.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).