3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol

C14H16N2O2S — CID 63239044

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1csc(CCNC2COc3cc(O)ccc32)n1
InChIInChI=1S/C14H16N2O2S/c1-9-8-19-14(16-9)4-5-15-12-7-18-13-6-10(17)2-3-11(12)13/h2-3,6,8,12,15,17H,4-5,7H2,1H3
InChIKeyYMMQOMHPZOEQPU-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.42
Rot. Bonds4

About 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 63239044) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID63239044
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1csc(CCNC2COc3cc(O)ccc32)n1
InChIInChI=1S/C14H16N2O2S/c1-9-8-19-14(16-9)4-5-15-12-7-18-13-6-10(17)2-3-11(12)13/h2-3,6,8,12,15,17H,4-5,7H2,1H3
InChIKeyYMMQOMHPZOEQPU-UHFFFAOYSA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 63239044) is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol is Cc1csc(CCNC2COc3cc(O)ccc32)n1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is YMMQOMHPZOEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-8-19-14(16-9)4-5-15-12-7-18-13-6-10(17)2-3-11(12)13/h2-3,6,8,12,15,17H,4-5,7H2,1H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 276.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 63239044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).