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

C18H13ClN2S — CID 12878267

IUPAC8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
SMILESCc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C18H13ClN2S/c1-11-21-18-14-8-7-13(19)9-15(14)17(20-10-16(18)22-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyBTFDPKZNQUFSLV-UHFFFAOYSA-N
MW324.84 g/mol
LogP5.12
Rot. Bonds1

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

8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine (PubChem CID 12878267) has the molecular formula C18H13ClN2S and a molecular weight of 324.84 g/mol. Its IUPAC name is 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine.

Molecular Properties

Compound Name8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
PubChem CID12878267
Molecular FormulaC18H13ClN2S
Molecular Weight324.84 g/mol
Exact Mass324.05
IUPAC Name8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
SMILESCc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C18H13ClN2S/c1-11-21-18-14-8-7-13(19)9-15(14)17(20-10-16(18)22-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyBTFDPKZNQUFSLV-UHFFFAOYSA-N
XLogP5.12
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.84
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine?
The IUPAC name of 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine (CID 12878267) is 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine.
What is the SMILES notation for 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine?
The canonical SMILES for 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine is Cc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine?
The InChIKey is BTFDPKZNQUFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2S/c1-11-21-18-14-8-7-13(19)9-15(14)17(20-10-16(18)22-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine?
8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine has a molecular weight of 324.84 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine is sourced from PubChem (CID 12878267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).