2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H18Br2N2OS — CID 63447008

IUPAC2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(-c3cc(Br)c(Br)o3)sc21
InChIInChI=1S/C15H18Br2N2OS/c1-4-18-9-6-15(2,3)7-10-12(9)21-14(19-10)11-5-8(16)13(17)20-11/h5,9,18H,4,6-7H2,1-3H3
InChIKeyLNIPCSFPFCDEOU-UHFFFAOYSA-N
MW434.20 g/mol
LogP5.55
Rot. Bonds3

About 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 63447008) has the molecular formula C15H18Br2N2OS and a molecular weight of 434.20 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID63447008
Molecular FormulaC15H18Br2N2OS
Molecular Weight434.20 g/mol
Exact Mass431.95
IUPAC Name2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(-c3cc(Br)c(Br)o3)sc21
InChIInChI=1S/C15H18Br2N2OS/c1-4-18-9-6-15(2,3)7-10-12(9)21-14(19-10)11-5-8(16)13(17)20-11/h5,9,18H,4,6-7H2,1-3H3
InChIKeyLNIPCSFPFCDEOU-UHFFFAOYSA-N
XLogP5.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.20
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 63447008) is 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCNC1CC(C)(C)Cc2nc(-c3cc(Br)c(Br)o3)sc21.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is LNIPCSFPFCDEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2OS/c1-4-18-9-6-15(2,3)7-10-12(9)21-14(19-10)11-5-8(16)13(17)20-11/h5,9,18H,4,6-7H2,1-3H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 434.20 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 63447008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).