[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone

C22H23BrN4O3S2 — CID 139897812

IUPAC[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Br)ccc5c4)CC3)sc2C1
InChIInChI=1S/C22H23BrN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
InChIKeyLRMBEUVPYGFOLQ-UHFFFAOYSA-N
MW535.49 g/mol
LogP3.19
Rot. Bonds3

About [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone

[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone (PubChem CID 139897812) has the molecular formula C22H23BrN4O3S2 and a molecular weight of 535.49 g/mol. Its IUPAC name is [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
PubChem CID139897812
Molecular FormulaC22H23BrN4O3S2
Molecular Weight535.49 g/mol
Exact Mass534.04
IUPAC Name[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Br)ccc5c4)CC3)sc2C1
InChIInChI=1S/C22H23BrN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
InChIKeyLRMBEUVPYGFOLQ-UHFFFAOYSA-N
XLogP3.19
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone with MolForge

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Related Compounds

6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
CID 139897624
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 139897505
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
CID 10256934
2-[4-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carbonyl]piperazin-1-yl]acetic acid
CID 139897720
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22711230
5-[[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 139897076
N'-hydroxy-6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
CID 139897571
[4-[(6-ethynyl-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(5-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 139898126
[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(2-methylpyrimidin-4-yl)phenyl]methanone
CID 22329726
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892
4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxylic acid
CID 139897988

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
The IUPAC name of [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone (CID 139897812) is [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
The canonical SMILES for [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Br)ccc5c4)CC3)sc2C1.
What is the InChIKey of [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
The InChIKey is LRMBEUVPYGFOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3.
What are the key properties of [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone has a molecular weight of 535.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone is sourced from PubChem (CID 139897812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).