(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C24H22N4O3S2 — CID 22628161

IUPAC(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H22N4O3S2/c1-17-22(32-23(26-17)19-8-10-25-11-9-19)24(29)27-12-14-28(15-13-27)33(30,31)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16H,12-15H2,1H3
InChIKeyHYHPAGZTYZBQRM-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.81
Rot. Bonds4

About (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 22628161) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID22628161
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H22N4O3S2/c1-17-22(32-23(26-17)19-8-10-25-11-9-19)24(29)27-12-14-28(15-13-27)33(30,31)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16H,12-15H2,1H3
InChIKeyHYHPAGZTYZBQRM-UHFFFAOYSA-N
XLogP3.81
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17411111
[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628235
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 22628100
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
[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
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 27562943
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 16562907
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 17491465

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 22628161) is (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HYHPAGZTYZBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-17-22(32-23(26-17)19-8-10-25-11-9-19)24(29)27-12-14-28(15-13-27)33(30,31)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16H,12-15H2,1H3.
What are the key properties of (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 478.60 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 22628161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).