5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine

C20H19FN2OS — CID 67247407

IUPAC5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine
SMILESFc1ccc(N2CCCc3nc(COc4ccccc4)sc3C2)cc1
InChIInChI=1S/C20H19FN2OS/c21-15-8-10-16(11-9-15)23-12-4-7-18-19(13-23)25-20(22-18)14-24-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyBFDWXEJIVURATL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.81
Rot. Bonds4

About 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine

5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine (PubChem CID 67247407) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine
PubChem CID67247407
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine
SMILESFc1ccc(N2CCCc3nc(COc4ccccc4)sc3C2)cc1
InChIInChI=1S/C20H19FN2OS/c21-15-8-10-16(11-9-15)23-12-4-7-18-19(13-23)25-20(22-18)14-24-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyBFDWXEJIVURATL-UHFFFAOYSA-N
XLogP4.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine with MolForge

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Related Compounds

6-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155521675
5-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine
CID 155537490
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155561895
6-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155562463
(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane
CID 75367718
2-[1-[2-(3-Fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole
CID 71920988
7-Fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 86806726
3-[(9-fluoro-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaen-4-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 11234490
2-[(9-fluoro-13-oxa-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaen-4-yl)methoxy]-N,N-dimethylethanamine
CID 11773101
N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 24986399
4-[[4-(5-Fluoro-2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 46204698
2-(4-Fluorophenyl)-4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 46205332

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
The IUPAC name of 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine (CID 67247407) is 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
The canonical SMILES for 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine is Fc1ccc(N2CCCc3nc(COc4ccccc4)sc3C2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
The InChIKey is BFDWXEJIVURATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c21-15-8-10-16(11-9-15)23-12-4-7-18-19(13-23)25-20(22-18)14-24-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2.
What are the key properties of 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine has a molecular weight of 354.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(phenoxymethyl)-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine is sourced from PubChem (CID 67247407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).