[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone

C24H21ClN4O3S2 — CID 22628100

IUPAC[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C24H21ClN4O3S2/c1-16-22(33-23(27-16)19-3-2-8-26-15-19)24(30)28-9-11-29(12-10-28)34(31,32)21-7-5-17-13-20(25)6-4-18(17)14-21/h2-8,13-15H,9-12H2,1H3
InChIKeyBMUABPSFSSPDFI-UHFFFAOYSA-N
MW513.04 g/mol
LogP4.47
Rot. Bonds4

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 22628100) has the molecular formula C24H21ClN4O3S2 and a molecular weight of 513.04 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID22628100
Molecular FormulaC24H21ClN4O3S2
Molecular Weight513.04 g/mol
Exact Mass512.07
IUPAC Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C24H21ClN4O3S2/c1-16-22(33-23(27-16)19-3-2-8-26-15-19)24(30)28-9-11-29(12-10-28)34(31,32)21-7-5-17-13-20(25)6-4-18(17)14-21/h2-8,13-15H,9-12H2,1H3
InChIKeyBMUABPSFSSPDFI-UHFFFAOYSA-N
XLogP4.47
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.04
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 22628161
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
CID 22711019
[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628235
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17411111
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22627981
[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628244
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[5-(3-fluoro-4-pyridinyl)pyrimidin-2-yl]methanone
CID 22709919

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone (CID 22628100) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is BMUABPSFSSPDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S2/c1-16-22(33-23(27-16)19-3-2-8-26-15-19)24(30)28-9-11-29(12-10-28)34(31,32)21-7-5-17-13-20(25)6-4-18(17)14-21/h2-8,13-15H,9-12H2,1H3.
What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 513.04 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 22628100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).