8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine

C17H11ClFN3S — CID 12878270

IUPAC8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
SMILESNc1nc2c(s1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H11ClFN3S/c18-9-5-6-10-12(7-9)15(11-3-1-2-4-13(11)19)21-8-14-16(10)22-17(20)23-14/h1-7H,8H2,(H2,20,22)
InChIKeyZYDYNNDNZMEHHE-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.54
Rot. Bonds1

About 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine

8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine (PubChem CID 12878270) has the molecular formula C17H11ClFN3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine.

Molecular Properties

Compound Name8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
PubChem CID12878270
Molecular FormulaC17H11ClFN3S
Molecular Weight343.81 g/mol
Exact Mass343.03
IUPAC Name8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
SMILESNc1nc2c(s1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H11ClFN3S/c18-9-5-6-10-12(7-9)15(11-3-1-2-4-13(11)19)21-8-14-16(10)22-17(20)23-14/h1-7H,8H2,(H2,20,22)
InChIKeyZYDYNNDNZMEHHE-UHFFFAOYSA-N
XLogP4.54
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The IUPAC name of 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine (CID 12878270) is 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine.
What is the SMILES notation for 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The canonical SMILES for 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine is Nc1nc2c(s1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The InChIKey is ZYDYNNDNZMEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3S/c18-9-5-6-10-12(7-9)15(11-3-1-2-4-13(11)19)21-8-14-16(10)22-17(20)23-14/h1-7H,8H2,(H2,20,22).
What are the key properties of 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine has a molecular weight of 343.81 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2-fluorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine is sourced from PubChem (CID 12878270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).