N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

C13H18N2OS2 — CID 62542720

IUPACN-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1ccc(-c2csc(CNCCOC)n2)s1
InChIInChI=1S/C13H18N2OS2/c1-3-10-4-5-12(18-10)11-9-17-13(15-11)8-14-6-7-16-2/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyULAWJJPIRDKRCU-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.17
Rot. Bonds7

About N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62542720) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID62542720
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1ccc(-c2csc(CNCCOC)n2)s1
InChIInChI=1S/C13H18N2OS2/c1-3-10-4-5-12(18-10)11-9-17-13(15-11)8-14-6-7-16-2/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyULAWJJPIRDKRCU-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.17
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-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (CID 62542720) is N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is CCc1ccc(-c2csc(CNCCOC)n2)s1.
What is the InChIKey of N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is ULAWJJPIRDKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-3-10-4-5-12(18-10)11-9-17-13(15-11)8-14-6-7-16-2/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 282.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62542720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).