3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine

C10H18N2OS — CID 28781136

IUPAC3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1csc(C)n1
InChIInChI=1S/C10H18N2OS/c1-3-13-6-4-5-11-7-10-8-14-9(2)12-10/h8,11H,3-7H2,1-2H3
InChIKeyAKRVQSMYKBXZSK-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.97
Rot. Bonds7

About 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine

3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 28781136) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID28781136
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1csc(C)n1
InChIInChI=1S/C10H18N2OS/c1-3-13-6-4-5-11-7-10-8-14-9(2)12-10/h8,11H,3-7H2,1-2H3
InChIKeyAKRVQSMYKBXZSK-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.97
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 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 28781136) is 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is CCOCCCNCc1csc(C)n1.
What is the InChIKey of 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is AKRVQSMYKBXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-13-6-4-5-11-7-10-8-14-9(2)12-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 28781136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).