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

C19H17Cl2N5O3S2 — CID 55815330

IUPAC[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H17Cl2N5O3S2/c1-12-16(30-18(24-12)17-22-6-3-7-23-17)19(27)25-8-10-26(11-9-25)31(28,29)14-5-2-4-13(20)15(14)21/h2-7H,8-11H2,1H3
InChIKeyHIPNYNIPWSTMLW-UHFFFAOYSA-N
MW498.42 g/mol
LogP3.36
Rot. Bonds4

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

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 55815330) has the molecular formula C19H17Cl2N5O3S2 and a molecular weight of 498.42 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID55815330
Molecular FormulaC19H17Cl2N5O3S2
Molecular Weight498.42 g/mol
Exact Mass497.01
IUPAC Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H17Cl2N5O3S2/c1-12-16(30-18(24-12)17-22-6-3-7-23-17)19(27)25-8-10-26(11-9-25)31(28,29)14-5-2-4-13(20)15(14)21/h2-7H,8-11H2,1H3
InChIKeyHIPNYNIPWSTMLW-UHFFFAOYSA-N
XLogP3.36
TPSA96.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9374240
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17411111
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrazin-2-ylmethanone
CID 27563231
[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628235
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 27768789
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 55815330) is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is HIPNYNIPWSTMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3S2/c1-12-16(30-18(24-12)17-22-6-3-7-23-17)19(27)25-8-10-26(11-9-25)31(28,29)14-5-2-4-13(20)15(14)21/h2-7H,8-11H2,1H3.
What are the key properties of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 498.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 55815330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).