2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole

C22H21N3O2S3 — CID 30463865

IUPAC2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C22H21N3O2S3/c26-30(27,19-8-7-17-4-1-2-5-18(17)14-19)25-11-9-24(10-12-25)15-22-23-20(16-29-22)21-6-3-13-28-21/h1-8,13-14,16H,9-12,15H2
InChIKeyAJQCZVHCZJYEDM-UHFFFAOYSA-N
MW455.63 g/mol
LogP4.53
Rot. Bonds5

About 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole

2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole (PubChem CID 30463865) has the molecular formula C22H21N3O2S3 and a molecular weight of 455.63 g/mol. Its IUPAC name is 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
PubChem CID30463865
Molecular FormulaC22H21N3O2S3
Molecular Weight455.63 g/mol
Exact Mass455.08
IUPAC Name2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C22H21N3O2S3/c26-30(27,19-8-7-17-4-1-2-5-18(17)14-19)25-11-9-24(10-12-25)15-22-23-20(16-29-22)21-6-3-13-28-21/h1-8,13-14,16H,9-12,15H2
InChIKeyAJQCZVHCZJYEDM-UHFFFAOYSA-N
XLogP4.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30868768
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463893
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463674
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463732
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
CID 71778838
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463718

Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole (CID 30463865) is 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole is O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is AJQCZVHCZJYEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S3/c26-30(27,19-8-7-17-4-1-2-5-18(17)14-19)25-11-9-24(10-12-25)15-22-23-20(16-29-22)21-6-3-13-28-21/h1-8,13-14,16H,9-12,15H2.
What are the key properties of 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole?
2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 455.63 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 30463865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).