N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine

C10H18N2O2S — CID 79774095

IUPACN-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCCCOC)s1
InChIInChI=1S/C10H18N2O2S/c1-3-11-10-12-7-9(15-10)8-14-6-4-5-13-2/h7H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyFHCXXEBZBAOBMG-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.13
Rot. Bonds8

About N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine

N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774095) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine
PubChem CID79774095
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCCCOC)s1
InChIInChI=1S/C10H18N2O2S/c1-3-11-10-12-7-9(15-10)8-14-6-4-5-13-2/h7H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyFHCXXEBZBAOBMG-UHFFFAOYSA-N
XLogP2.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine (CID 79774095) is N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine is CCNc1ncc(COCCCOC)s1.
What is the InChIKey of N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is FHCXXEBZBAOBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-11-10-12-7-9(15-10)8-14-6-4-5-13-2/h7H,3-6,8H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 230.33 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).