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

C32H29N3O3S — CID 121094696

IUPAC(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2nc(-c3ccco3)cs2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H29N3O3S/c36-32(26-13-15-27(16-14-26)38-22-30-33-28(23-39-30)29-12-7-21-37-29)35-19-17-34(18-20-35)31(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-16,21,23,31H,17-20,22H2
InChIKeyNEXIGSFRHBAJGM-UHFFFAOYSA-N
MW535.67 g/mol
LogP6.53
Rot. Bonds8

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

(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone (PubChem CID 121094696) has the molecular formula C32H29N3O3S and a molecular weight of 535.67 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
PubChem CID121094696
Molecular FormulaC32H29N3O3S
Molecular Weight535.67 g/mol
Exact Mass535.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2nc(-c3ccco3)cs2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H29N3O3S/c36-32(26-13-15-27(16-14-26)38-22-30-33-28(23-39-30)29-12-7-21-37-29)35-19-17-34(18-20-35)31(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-16,21,23,31H,17-20,22H2
InChIKeyNEXIGSFRHBAJGM-UHFFFAOYSA-N
XLogP6.53
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.67
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094263
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CID 1343328
(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 30860587
(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983584
1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30860537
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone (CID 121094696) is (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone is O=C(c1ccc(OCc2nc(-c3ccco3)cs2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
The InChIKey is NEXIGSFRHBAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3S/c36-32(26-13-15-27(16-14-26)38-22-30-33-28(23-39-30)29-12-7-21-37-29)35-19-17-34(18-20-35)31(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-16,21,23,31H,17-20,22H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone has a molecular weight of 535.67 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 121094696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).