1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone

C25H24FN5O2S — CID 71603366

IUPAC1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(N)sc4CC3)n2)cc1
InChIInChI=1S/C25H24FN5O2S/c1-33-19-8-2-16(3-9-19)21-15-31(18-6-4-17(26)5-7-18)23(28-21)14-24(32)30-12-10-20-22(11-13-30)34-25(27)29-20/h2-9,15H,10-14H2,1H3,(H2,27,29)
InChIKeyRRKWSTBFMDHOQV-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone

1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone (PubChem CID 71603366) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone
PubChem CID71603366
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(N)sc4CC3)n2)cc1
InChIInChI=1S/C25H24FN5O2S/c1-33-19-8-2-16(3-9-19)21-15-31(18-6-4-17(26)5-7-18)23(28-21)14-24(32)30-12-10-20-22(11-13-30)34-25(27)29-20/h2-9,15H,10-14H2,1H3,(H2,27,29)
InChIKeyRRKWSTBFMDHOQV-UHFFFAOYSA-N
XLogP3.90
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone with MolForge

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Related Compounds

lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
CID 162309650
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone
CID 28505303
2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71599769
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71599086
2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71599853
1-[2-(4-fluorophenyl)-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-(4-methoxyphenyl)ethanone
CID 97404716
6-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97361501
2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
CID 71598708
1-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-3-[1-(4-methoxy-2-pyridinyl)azepan-4-yl]propan-2-one
CID 123663711
6-[2-(3-methoxyphenyl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442513
1-[1-(4-ethenylphenyl)-4-(4-fluorophenyl)imidazol-2-yl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl)butan-2-one
CID 123533976
2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42825352

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone?
The IUPAC name of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone (CID 71603366) is 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone.
What is the SMILES notation for 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone?
The canonical SMILES for 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone is COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(N)sc4CC3)n2)cc1.
What is the InChIKey of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone?
The InChIKey is RRKWSTBFMDHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-33-19-8-2-16(3-9-19)21-15-31(18-6-4-17(26)5-7-18)23(28-21)14-24(32)30-12-10-20-22(11-13-30)34-25(27)29-20/h2-9,15H,10-14H2,1H3,(H2,27,29).
What are the key properties of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone?
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone has a molecular weight of 477.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone is sourced from PubChem (CID 71603366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).