[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C24H26ClN3O3S — CID 46165575

IUPAC[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2csc(-c3cccc(OCc4ccccc4Cl)c3)n2)CC1
InChIInChI=1S/C24H26ClN3O3S/c1-30-14-13-27-9-11-28(12-10-27)24(29)22-17-32-23(26-22)18-6-4-7-20(15-18)31-16-19-5-2-3-8-21(19)25/h2-8,15,17H,9-14,16H2,1H3
InChIKeyUJWBEZLLFLYRFK-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.45
Rot. Bonds8

About [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 46165575) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID46165575
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2csc(-c3cccc(OCc4ccccc4Cl)c3)n2)CC1
InChIInChI=1S/C24H26ClN3O3S/c1-30-14-13-27-9-11-28(12-10-27)24(29)22-17-32-23(26-22)18-6-4-7-20(15-18)31-16-19-5-2-3-8-21(19)25/h2-8,15,17H,9-14,16H2,1H3
InChIKeyUJWBEZLLFLYRFK-UHFFFAOYSA-N
XLogP4.45
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46067944
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969
1-[4-[2-[4-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46065776
[4-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 60597279
[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55573968
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 134051754
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
N-(2-chlorophenyl)-2-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 39440649
2-[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686982
5-[(2-chlorophenyl)methoxy]-2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]pyran-4-one
CID 46084039

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 46165575) is [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2csc(-c3cccc(OCc4ccccc4Cl)c3)n2)CC1.
What is the InChIKey of [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is UJWBEZLLFLYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-30-14-13-27-9-11-28(12-10-27)24(29)22-17-32-23(26-22)18-6-4-7-20(15-18)31-16-19-5-2-3-8-21(19)25/h2-8,15,17H,9-14,16H2,1H3.
What are the key properties of [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 472.01 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46165575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).