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

C17H12ClN3S — CID 12878268

IUPAC8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
SMILESNc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H12ClN3S/c18-11-6-7-12-13(8-11)15(10-4-2-1-3-5-10)20-9-14-16(12)21-17(19)22-14/h1-8H,9H2,(H2,19,21)
InChIKeyQBCZSENZRIKCCC-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.40
Rot. Bonds1

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

8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine (PubChem CID 12878268) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine.

Molecular Properties

Compound Name8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
PubChem CID12878268
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC Name8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
SMILESNc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H12ClN3S/c18-11-6-7-12-13(8-11)15(10-4-2-1-3-5-10)20-9-14-16(12)21-17(19)22-14/h1-8H,9H2,(H2,19,21)
InChIKeyQBCZSENZRIKCCC-UHFFFAOYSA-N
XLogP4.40
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The IUPAC name of 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine (CID 12878268) is 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine.
What is the SMILES notation for 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The canonical SMILES for 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine is Nc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The InChIKey is QBCZSENZRIKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-11-6-7-12-13(8-11)15(10-4-2-1-3-5-10)20-9-14-16(12)21-17(19)22-14/h1-8H,9H2,(H2,19,21).
What are the key properties of 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine has a molecular weight of 325.82 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine is sourced from PubChem (CID 12878268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).