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

C11H8N2OS — CID 2303676

IUPAC4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13)
InChIKeyIQIAVCUUQIGJPO-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.14
Rot. Bonds1

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

4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine (PubChem CID 2303676) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine
PubChem CID2303676
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13)
InChIKeyIQIAVCUUQIGJPO-UHFFFAOYSA-N
XLogP3.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine (CID 2303676) is 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IQIAVCUUQIGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13).
What are the key properties of 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine has a molecular weight of 216.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2303676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).