4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine

C16H14FNS — CID 615342

IUPAC4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
SMILESCC1CC(c2ccc(F)cc2)=Nc2ccccc2S1
InChIInChI=1S/C16H14FNS/c1-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-3-5-16(14)19-11/h2-9,11H,10H2,1H3
InChIKeyBZWBDWLRTCEBCG-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.83
Rot. Bonds1

About 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine

4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine (PubChem CID 615342) has the molecular formula C16H14FNS and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
PubChem CID615342
Molecular FormulaC16H14FNS
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC Name4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
SMILESCC1CC(c2ccc(F)cc2)=Nc2ccccc2S1
InChIInChI=1S/C16H14FNS/c1-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-3-5-16(14)19-11/h2-9,11H,10H2,1H3
InChIKeyBZWBDWLRTCEBCG-UHFFFAOYSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine (CID 615342) is 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine is CC1CC(c2ccc(F)cc2)=Nc2ccccc2S1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
The InChIKey is BZWBDWLRTCEBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS/c1-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-3-5-16(14)19-11/h2-9,11H,10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine has a molecular weight of 271.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine is sourced from PubChem (CID 615342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).