2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

C16H21N3O2S2 — CID 1272766

IUPAC2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C16H21N3O2S2/c1-13-3-5-16(6-4-13)23(20,21)19-9-7-18(8-10-19)11-15-12-22-14(2)17-15/h3-6,12H,7-11H2,1-2H3
InChIKeyRBKAMHRLILBUND-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 1272766) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID1272766
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C16H21N3O2S2/c1-13-3-5-16(6-4-13)23(20,21)19-9-7-18(8-10-19)11-15-12-22-14(2)17-15/h3-6,12H,7-11H2,1-2H3
InChIKeyRBKAMHRLILBUND-UHFFFAOYSA-N
XLogP2.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
4-[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 829818
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
CID 118362921
1-{[5-(2-Methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}-4-phenethylpiperazine
CID 2810366
2-Methyl-4-{3-[(3-methylpiperidino)sulfonyl]phenyl}-1,3-thiazole
CID 3773079
5-(4-Ethylpiperazin-1-yl)-2-(methylsulfonyl)-4-tosylthiazole
CID 20888672
1-{2-(Ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}-4-methylpiperazine
CID 20888750
5-(4-Ethylpiperazin-1-yl)-2-(propylsulfonyl)-4-tosylthiazole
CID 20888841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 1272766) is 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1.
What is the InChIKey of 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RBKAMHRLILBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-13-3-5-16(6-4-13)23(20,21)19-9-7-18(8-10-19)11-15-12-22-14(2)17-15/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 351.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 1272766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).