5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole

C19H27N3O4S3 — CID 20888841

IUPAC5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(CC)CC2)s1
InChIInChI=1S/C19H27N3O4S3/c1-4-14-28(23,24)19-20-17(29(25,26)16-8-6-15(3)7-9-16)18(27-19)22-12-10-21(5-2)11-13-22/h6-9H,4-5,10-14H2,1-3H3
InChIKeyYVIGBMDNIXHTET-UHFFFAOYSA-N
MW457.64 g/mol
LogP2.61
Rot. Bonds7

About 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole

5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole (PubChem CID 20888841) has the molecular formula C19H27N3O4S3 and a molecular weight of 457.64 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole
PubChem CID20888841
Molecular FormulaC19H27N3O4S3
Molecular Weight457.64 g/mol
Exact Mass457.12
IUPAC Name5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(CC)CC2)s1
InChIInChI=1S/C19H27N3O4S3/c1-4-14-28(23,24)19-20-17(29(25,26)16-8-6-15(3)7-9-16)18(27-19)22-12-10-21(5-2)11-13-22/h6-9H,4-5,10-14H2,1-3H3
InChIKeyYVIGBMDNIXHTET-UHFFFAOYSA-N
XLogP2.61
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole (CID 20888841) is 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole is CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(CC)CC2)s1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole?
The InChIKey is YVIGBMDNIXHTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S3/c1-4-14-28(23,24)19-20-17(29(25,26)16-8-6-15(3)7-9-16)18(27-19)22-12-10-21(5-2)11-13-22/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole?
5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole has a molecular weight of 457.64 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole is sourced from PubChem (CID 20888841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).