4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine

C11H10N2OS — CID 2758374

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C11H10N2OS/c12-11-13-9(6-15-11)7-1-2-10-8(5-7)3-4-14-10/h1-2,5-6H,3-4H2,(H2,12,13)
InChIKeyYREUPBBWTZDQPA-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.33
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine

4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine (PubChem CID 2758374) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
PubChem CID2758374
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C11H10N2OS/c12-11-13-9(6-15-11)7-1-2-10-8(5-7)3-4-14-10/h1-2,5-6H,3-4H2,(H2,12,13)
InChIKeyYREUPBBWTZDQPA-UHFFFAOYSA-N
XLogP2.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine (CID 2758374) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The InChIKey is YREUPBBWTZDQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-11-13-9(6-15-11)7-1-2-10-8(5-7)3-4-14-10/h1-2,5-6H,3-4H2,(H2,12,13).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine has a molecular weight of 218.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2758374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).