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

C25H25ClN6O5S2 — CID 139897076

IUPAC5-[[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
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3Cc3n[nH]c(=O)o3)sc2C1
InChIInChI=1S/C25H25ClN6O5S2/c1-30-7-6-20-21(14-30)38-23(27-20)24(33)32-9-8-31(13-18(32)12-22-28-29-25(34)37-22)39(35,36)19-5-3-15-10-17(26)4-2-16(15)11-19/h2-5,10-11,18H,6-9,12-14H2,1H3,(H,29,34)
InChIKeyHFJDEVWWBFNFOI-UHFFFAOYSA-N
MW589.10 g/mol
LogP2.37
Rot. Bonds5

About 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

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 (PubChem CID 139897076) has the molecular formula C25H25ClN6O5S2 and a molecular weight of 589.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID139897076
Molecular FormulaC25H25ClN6O5S2
Molecular Weight589.10 g/mol
Exact Mass588.10
IUPAC Name5-[[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
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3Cc3n[nH]c(=O)o3)sc2C1
InChIInChI=1S/C25H25ClN6O5S2/c1-30-7-6-20-21(14-30)38-23(27-20)24(33)32-9-8-31(13-18(32)12-22-28-29-25(34)37-22)39(35,36)19-5-3-15-10-17(26)4-2-16(15)11-19/h2-5,10-11,18H,6-9,12-14H2,1H3,(H,29,34)
InChIKeyHFJDEVWWBFNFOI-UHFFFAOYSA-N
XLogP2.37
TPSA132.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.10
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-[[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 22711443
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
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
1-[[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methyl]pyrrolidine-2,5-dione
CID 139898071
3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 139897073
2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 139897658
N-(benzenesulfonyl)-2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]acetamide
CID 139897879
3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,2,4-oxadiazolidin-5-one
CID 139897586
ethyl 3-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]propanoate
CID 139897914
1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one
CID 139898094
2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
CID 139897437

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3Cc3n[nH]c(=O)o3)sc2C1.
What is the InChIKey of 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?
The InChIKey is HFJDEVWWBFNFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O5S2/c1-30-7-6-20-21(14-30)38-23(27-20)24(33)32-9-8-31(13-18(32)12-22-28-29-25(34)37-22)39(35,36)19-5-3-15-10-17(26)4-2-16(15)11-19/h2-5,10-11,18H,6-9,12-14H2,1H3,(H,29,34).
What are the key properties of 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?
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 has a molecular weight of 589.10 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139897076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).