4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C14H14N2O2S — CID 2469776

IUPAC4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C14H14N2O2S/c1-17-7-6-15-14-16-11(9-19-14)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyAAQZGOOBPBBYOB-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.61
Rot. Bonds5

About 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 2469776) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID2469776
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C14H14N2O2S/c1-17-7-6-15-14-16-11(9-19-14)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyAAQZGOOBPBBYOB-UHFFFAOYSA-N
XLogP3.61
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 2469776) is 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is COCCNc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is AAQZGOOBPBBYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-17-7-6-15-14-16-11(9-19-14)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 274.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2469776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).