[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C21H20ClN3O2S — CID 55970553

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cscn2)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClN3O2S/c22-17-4-6-19(7-5-17)24-8-10-25(11-9-24)21(26)16-2-1-3-20(12-16)27-13-18-14-28-15-23-18/h1-7,12,14-15H,8-11,13H2
InChIKeyOMAHHVNUAJCFOE-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.34
Rot. Bonds5

About [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 55970553) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID55970553
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cscn2)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClN3O2S/c22-17-4-6-19(7-5-17)24-8-10-25(11-9-24)21(26)16-2-1-3-20(12-16)27-13-18-14-28-15-23-18/h1-7,12,14-15H,8-11,13H2
InChIKeyOMAHHVNUAJCFOE-UHFFFAOYSA-N
XLogP4.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86905301
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
(3R)-3-methyl-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695731
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39896443
N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 27860198
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134010113
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 5202976
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 55970553) is [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is O=C(c1cccc(OCc2cscn2)c1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is OMAHHVNUAJCFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c22-17-4-6-19(7-5-17)24-8-10-25(11-9-24)21(26)16-2-1-3-20(12-16)27-13-18-14-28-15-23-18/h1-7,12,14-15H,8-11,13H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 413.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 55970553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).