(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H15Cl2N3OS — CID 133309329

IUPAC(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C15H15Cl2N3OS/c1-10-9-18-15(22-10)20-6-4-19(5-7-20)14(21)12-3-2-11(16)8-13(12)17/h2-3,8-9H,4-7H2,1H3
InChIKeyQJJMNAFEKJEZSO-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.72
Rot. Bonds2

About (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 133309329) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID133309329
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC Name(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C15H15Cl2N3OS/c1-10-9-18-15(22-10)20-6-4-19(5-7-20)14(21)12-3-2-11(16)8-13(12)17/h2-3,8-9H,4-7H2,1H3
InChIKeyQJJMNAFEKJEZSO-UHFFFAOYSA-N
XLogP3.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 41027463
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 41115533
(2,4-dichlorophenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539124
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121072238
1,3-benzodioxol-5-yl-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 133309338
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
(2,4-dichlorophenyl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047592

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 133309329) is (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1cnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is QJJMNAFEKJEZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c1-10-9-18-15(22-10)20-6-4-19(5-7-20)14(21)12-3-2-11(16)8-13(12)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 356.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133309329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).