2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

C11H14N2OS2 — CID 82515813

IUPAC2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1csc(-c2cccs2)n1
InChIInChI=1S/C11H14N2OS2/c1-14-5-4-12-7-9-8-16-11(13-9)10-3-2-6-15-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyUPZPWURMYOJZGL-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.61
Rot. Bonds6

About 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 82515813) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID82515813
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1csc(-c2cccs2)n1
InChIInChI=1S/C11H14N2OS2/c1-14-5-4-12-7-9-8-16-11(13-9)10-3-2-6-15-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyUPZPWURMYOJZGL-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.61
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

3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 120913165
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82439257
2-methoxy-N-[(4-propan-2-yl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82435064
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929431
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 82515813) is 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is COCCNCc1csc(-c2cccs2)n1.
What is the InChIKey of 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is UPZPWURMYOJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-14-5-4-12-7-9-8-16-11(13-9)10-3-2-6-15-10/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 82515813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).