(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone

C12H6Cl2N2O2S — CID 23962006

IUPAC(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone
SMILESNc1nc(C(=O)c2cc3cc(Cl)cc(Cl)c3o2)cs1
InChIInChI=1S/C12H6Cl2N2O2S/c13-6-1-5-2-9(18-11(5)7(14)3-6)10(17)8-4-19-12(15)16-8/h1-4H,(H2,15,16)
InChIKeyIUXQESYNQYANJF-UHFFFAOYSA-N
MW313.17 g/mol
LogP4.01
Rot. Bonds2

About (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone (PubChem CID 23962006) has the molecular formula C12H6Cl2N2O2S and a molecular weight of 313.17 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone
PubChem CID23962006
Molecular FormulaC12H6Cl2N2O2S
Molecular Weight313.17 g/mol
Exact Mass311.95
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone
SMILESNc1nc(C(=O)c2cc3cc(Cl)cc(Cl)c3o2)cs1
InChIInChI=1S/C12H6Cl2N2O2S/c13-6-1-5-2-9(18-11(5)7(14)3-6)10(17)8-4-19-12(15)16-8/h1-4H,(H2,15,16)
InChIKeyIUXQESYNQYANJF-UHFFFAOYSA-N
XLogP4.01
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone (CID 23962006) is (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone is Nc1nc(C(=O)c2cc3cc(Cl)cc(Cl)c3o2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone?
The InChIKey is IUXQESYNQYANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2S/c13-6-1-5-2-9(18-11(5)7(14)3-6)10(17)8-4-19-12(15)16-8/h1-4H,(H2,15,16).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone has a molecular weight of 313.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 23962006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).