(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone

C29H29N3O2S — CID 121094263

IUPAC(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
SMILESCc1csc(COc2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C29H29N3O2S/c1-22-21-35-27(30-22)20-34-26-14-12-25(13-15-26)29(33)32-18-16-31(17-19-32)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,21,28H,16-20H2,1H3
InChIKeyQUZPUIISEKUPGE-UHFFFAOYSA-N
MW483.64 g/mol
LogP5.58
Rot. Bonds7

About (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone

(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone (PubChem CID 121094263) has the molecular formula C29H29N3O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
PubChem CID121094263
Molecular FormulaC29H29N3O2S
Molecular Weight483.64 g/mol
Exact Mass483.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
SMILESCc1csc(COc2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C29H29N3O2S/c1-22-21-35-27(30-22)20-34-26-14-12-25(13-15-26)29(33)32-18-16-31(17-19-32)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,21,28H,16-20H2,1H3
InChIKeyQUZPUIISEKUPGE-UHFFFAOYSA-N
XLogP5.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
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[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
(4-benzhydrylpiperazin-1-yl)-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]methanone
CID 5224962
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone (CID 121094263) is (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone is Cc1csc(COc2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)n1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
The InChIKey is QUZPUIISEKUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2S/c1-22-21-35-27(30-22)20-34-26-14-12-25(13-15-26)29(33)32-18-16-31(17-19-32)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,21,28H,16-20H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone has a molecular weight of 483.64 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 121094263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).