7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine

C12H11FN2S — CID 96596939

IUPAC7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
SMILESCc1nc2c(s1)CCNc1c(F)cccc1-2
InChIInChI=1S/C12H11FN2S/c1-7-15-12-8-3-2-4-9(13)11(8)14-6-5-10(12)16-7/h2-4,14H,5-6H2,1H3
InChIKeyIRXANIWEDPSIFT-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.23
Rot. Bonds

About 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine

7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine (PubChem CID 96596939) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine.

Molecular Properties

Compound Name7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
PubChem CID96596939
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
SMILESCc1nc2c(s1)CCNc1c(F)cccc1-2
InChIInChI=1S/C12H11FN2S/c1-7-15-12-8-3-2-4-9(13)11(8)14-6-5-10(12)16-7/h2-4,14H,5-6H2,1H3
InChIKeyIRXANIWEDPSIFT-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
The IUPAC name of 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine (CID 96596939) is 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine.
What is the SMILES notation for 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
The canonical SMILES for 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine is Cc1nc2c(s1)CCNc1c(F)cccc1-2.
What is the InChIKey of 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
The InChIKey is IRXANIWEDPSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-7-15-12-8-3-2-4-9(13)11(8)14-6-5-10(12)16-7/h2-4,14H,5-6H2,1H3.
What are the key properties of 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine has a molecular weight of 234.30 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine is sourced from PubChem (CID 96596939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).