2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol

C19H27N3O5S3 — CID 20888842

IUPAC2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(CCO)CC2)s1
InChIInChI=1S/C19H27N3O5S3/c1-3-14-29(24,25)19-20-17(30(26,27)16-6-4-15(2)5-7-16)18(28-19)22-10-8-21(9-11-22)12-13-23/h4-7,23H,3,8-14H2,1-2H3
InChIKeyHMBZVWTYFQGRQO-UHFFFAOYSA-N
MW473.64 g/mol
LogP1.58
Rot. Bonds8

About 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol

2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol (PubChem CID 20888842) has the molecular formula C19H27N3O5S3 and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
PubChem CID20888842
Molecular FormulaC19H27N3O5S3
Molecular Weight473.64 g/mol
Exact Mass473.11
IUPAC Name2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(CCO)CC2)s1
InChIInChI=1S/C19H27N3O5S3/c1-3-14-29(24,25)19-20-17(30(26,27)16-6-4-15(2)5-7-16)18(28-19)22-10-8-21(9-11-22)12-13-23/h4-7,23H,3,8-14H2,1-2H3
InChIKeyHMBZVWTYFQGRQO-UHFFFAOYSA-N
XLogP1.58
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-dimethyl-2-(methylsulfonyl)-4-tosylthiazol-5-amine
CID 1295310
4-[(4-Methylphenyl)sulfonyl]-5-[(2-morpholin-4-ylethyl)amino]-2-(propylsulfony l)-1,3-thiazole
CID 2934572
N,N-diethyl-2-(propylsulfonyl)-4-tosylthiazol-5-amine
CID 16011584
N-butyl-2-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-amine
CID 16011855
N,N-dimethyl-N'-[4-[(4-methylphenyl)sulfonyl]-2-(propylsulfonyl)-1,3-thiazol-5-yl]propane-1,3-diamine
CID 16193574
4-[(4-methylphenyl)sulfonyl]-N-propyl-2-(propylsulfonyl)-1,3-thiazol-5-amine
CID 16195607
1-(2-(Methylsulfonyl)-4-tosylthiazol-5-yl)piperidin-4-ol
CID 20888669
5-(4-Ethylpiperazin-1-yl)-2-(methylsulfonyl)-4-tosylthiazole
CID 20888672
4-[(4-Chlorophenyl)sulfonyl]-5-[4-(2-hydroxyethyl)piperazinyl]-2-(methylsulfon yl)-1,3-thiazole
CID 20888698
1-{2-(Ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane
CID 20888740
1-{2-(Ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}piperidin-4-ol
CID 20888745
4-[2-(Ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-2,6-dimethylmorpholine
CID 20888749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol (CID 20888842) is 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol is CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(CCO)CC2)s1.
What is the InChIKey of 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol?
The InChIKey is HMBZVWTYFQGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S3/c1-3-14-29(24,25)19-20-17(30(26,27)16-6-4-15(2)5-7-16)18(28-19)22-10-8-21(9-11-22)12-13-23/h4-7,23H,3,8-14H2,1-2H3.
What are the key properties of 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol?
2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol has a molecular weight of 473.64 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 20888842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).