4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

C19H27N3O2S2 — CID 39983265

IUPAC4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3cscn3)CC2)c(C)c1C
InChIInChI=1S/C19H27N3O2S2/c1-13-14(2)16(4)19(17(5)15(13)3)26(23,24)22-8-6-21(7-9-22)10-18-11-25-12-20-18/h11-12H,6-10H2,1-5H3
InChIKeyFDRJUWXDUUJXEW-UHFFFAOYSA-N
MW393.58 g/mol
LogP3.19
Rot. Bonds4

About 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 39983265) has the molecular formula C19H27N3O2S2 and a molecular weight of 393.58 g/mol. Its IUPAC name is 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID39983265
Molecular FormulaC19H27N3O2S2
Molecular Weight393.58 g/mol
Exact Mass393.15
IUPAC Name4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3cscn3)CC2)c(C)c1C
InChIInChI=1S/C19H27N3O2S2/c1-13-14(2)16(4)19(17(5)15(13)3)26(23,24)22-8-6-21(7-9-22)10-18-11-25-12-20-18/h11-12H,6-10H2,1-5H3
InChIKeyFDRJUWXDUUJXEW-UHFFFAOYSA-N
XLogP3.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19682857
1-[(4-fluorophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 3847753
4-[[4-(4-phenylmethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 86884421
1-[(4-tert-butylphenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 17349682
1-[(2R)-2-methyl-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 52517011
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982405
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
CID 126834123
4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
CID 56799956
5-chloro-2-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 167886526
4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136541469
3-methyl-4-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]benzoic acid
CID 146143211

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 39983265) is 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3cscn3)CC2)c(C)c1C.
What is the InChIKey of 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FDRJUWXDUUJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S2/c1-13-14(2)16(4)19(17(5)15(13)3)26(23,24)22-8-6-21(7-9-22)10-18-11-25-12-20-18/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 393.58 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 39983265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).