5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole

C18H20N4O2S2 — CID 133351886

IUPAC5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESCc1cnc2c(S(=O)(=O)N3CCN(c4ncc(C)s4)CC3)cccc2c1
InChIInChI=1S/C18H20N4O2S2/c1-13-10-15-4-3-5-16(17(15)19-11-13)26(23,24)22-8-6-21(7-9-22)18-20-12-14(2)25-18/h3-5,10-12H,6-9H2,1-2H3
InChIKeyCJBDZNNNBALVBZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.82
Rot. Bonds3

About 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole

5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole (PubChem CID 133351886) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
PubChem CID133351886
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESCc1cnc2c(S(=O)(=O)N3CCN(c4ncc(C)s4)CC3)cccc2c1
InChIInChI=1S/C18H20N4O2S2/c1-13-10-15-4-3-5-16(17(15)19-11-13)26(23,24)22-8-6-21(7-9-22)18-20-12-14(2)25-18/h3-5,10-12H,6-9H2,1-2H3
InChIKeyCJBDZNNNBALVBZ-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
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CID 86989080
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
3-methyl-8-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]sulfonylquinoline
CID 56571343
(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276916
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
CID 30598898
3-methyl-8-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]sulfonylquinoline
CID 34157363
3-methyl-8-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylquinoline
CID 56550580
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
2-ethyl-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 55615001
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
CID 110892063
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119293056

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole (CID 133351886) is 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole is Cc1cnc2c(S(=O)(=O)N3CCN(c4ncc(C)s4)CC3)cccc2c1.
What is the InChIKey of 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is CJBDZNNNBALVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-13-10-15-4-3-5-16(17(15)19-11-13)26(23,24)22-8-6-21(7-9-22)18-20-12-14(2)25-18/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole?
5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 388.52 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 133351886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).