[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone

C24H23N3OS — CID 42290467

IUPAC[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
SMILESO=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C24H23N3OS/c28-23(26-14-7-12-19(13-15-26)18-8-3-1-4-9-18)22-17-29-24-25-21(16-27(22)24)20-10-5-2-6-11-20/h1-6,8-11,16-17,19H,7,12-15H2/t19-/m1/s1
InChIKeyQUHNVIUKYQAMAI-LJQANCHMSA-N
MW401.54 g/mol
LogP5.47
Rot. Bonds3

About [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone

[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone (PubChem CID 42290467) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
PubChem CID42290467
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
SMILESO=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C24H23N3OS/c28-23(26-14-7-12-19(13-15-26)18-8-3-1-4-9-18)22-17-29-24-25-21(16-27(22)24)20-10-5-2-6-11-20/h1-6,8-11,16-17,19H,7,12-15H2/t19-/m1/s1
InChIKeyQUHNVIUKYQAMAI-LJQANCHMSA-N
XLogP5.47
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 45192074
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270347
N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
CID 50839588
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 29356769
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42197445
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
methyl 6-[(4R)-4-phenylazepane-1-carbonyl]pyridine-2-carboxylate
CID 95174970
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
The IUPAC name of [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone (CID 42290467) is [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone.
What is the SMILES notation for [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
The canonical SMILES for [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone is O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@@H](c2ccccc2)CC1.
What is the InChIKey of [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
The InChIKey is QUHNVIUKYQAMAI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N3OS/c28-23(26-14-7-12-19(13-15-26)18-8-3-1-4-9-18)22-17-29-24-25-21(16-27(22)24)20-10-5-2-6-11-20/h1-6,8-11,16-17,19H,7,12-15H2/t19-/m1/s1.
What are the key properties of [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone has a molecular weight of 401.54 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone is sourced from PubChem (CID 42290467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).