4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine

C11H9ClN2OS — CID 104546169

IUPAC4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)cc3c2OCC3)cs1
InChIInChI=1S/C11H9ClN2OS/c12-7-3-6-1-2-15-10(6)8(4-7)9-5-16-11(13)14-9/h3-5H,1-2H2,(H2,13,14)
InChIKeyZDEISBJLFGSDTB-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.98
Rot. Bonds1

About 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine

4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine (PubChem CID 104546169) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
PubChem CID104546169
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)cc3c2OCC3)cs1
InChIInChI=1S/C11H9ClN2OS/c12-7-3-6-1-2-15-10(6)8(4-7)9-5-16-11(13)14-9/h3-5H,1-2H2,(H2,13,14)
InChIKeyZDEISBJLFGSDTB-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine (CID 104546169) is 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc(Cl)cc3c2OCC3)cs1.
What is the InChIKey of 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine?
The InChIKey is ZDEISBJLFGSDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-3-6-1-2-15-10(6)8(4-7)9-5-16-11(13)14-9/h3-5H,1-2H2,(H2,13,14).
What are the key properties of 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine?
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine has a molecular weight of 252.73 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104546169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).