4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole

C19H21N3O2S3 — CID 2795725

IUPAC4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)cs1
InChIInChI=1S/C19H21N3O2S3/c1-15-20-17(14-25-15)18-7-8-19(26-18)27(23,24)22-11-9-21(10-12-22)13-16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3
InChIKeyGPLOGKXFAWOCHB-UHFFFAOYSA-N
MW419.60 g/mol
LogP3.69
Rot. Bonds5

About 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole

4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole (PubChem CID 2795725) has the molecular formula C19H21N3O2S3 and a molecular weight of 419.60 g/mol. Its IUPAC name is 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole
PubChem CID2795725
Molecular FormulaC19H21N3O2S3
Molecular Weight419.60 g/mol
Exact Mass419.08
IUPAC Name4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)cs1
InChIInChI=1S/C19H21N3O2S3/c1-15-20-17(14-25-15)18-7-8-19(26-18)27(23,24)22-11-9-21(10-12-22)13-16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3
InChIKeyGPLOGKXFAWOCHB-UHFFFAOYSA-N
XLogP3.69
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole (CID 2795725) is 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)cs1.
What is the InChIKey of 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is GPLOGKXFAWOCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S3/c1-15-20-17(14-25-15)18-7-8-19(26-18)27(23,24)22-11-9-21(10-12-22)13-16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3.
What are the key properties of 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 419.60 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-benzylpiperazin-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2795725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).