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

C24H28ClN7O5S2 — CID 139897586

IUPAC3-[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
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCC3NOC(=O)N3)sc2C1
InChIInChI=1S/C24H28ClN7O5S2/c1-30-7-6-18-19(13-30)38-22(27-18)23(33)32-9-8-31(12-16(32)3-5-20-28-24(34)37-29-20)39(35,36)21-11-14-10-15(25)2-4-17(14)26-21/h2,4,10-11,16,20,26,29H,3,5-9,12-13H2,1H3,(H,28,34)
InChIKeyLOAZJJXFQKUQHP-UHFFFAOYSA-N
MW594.12 g/mol
LogP2.13
Rot. Bonds6

About 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

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 (PubChem CID 139897586) has the molecular formula C24H28ClN7O5S2 and a molecular weight of 594.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID139897586
Molecular FormulaC24H28ClN7O5S2
Molecular Weight594.12 g/mol
Exact Mass593.13
IUPAC Name3-[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
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCC3NOC(=O)N3)sc2C1
InChIInChI=1S/C24H28ClN7O5S2/c1-30-7-6-18-19(13-30)38-22(27-18)23(33)32-9-8-31(12-16(32)3-5-20-28-24(34)37-29-20)39(35,36)21-11-14-10-15(25)2-4-17(14)26-21/h2,4,10-11,16,20,26,29H,3,5-9,12-13H2,1H3,(H,28,34)
InChIKeyLOAZJJXFQKUQHP-UHFFFAOYSA-N
XLogP2.13
TPSA139.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.12
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-[(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
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
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-bis(2-methoxyethyl)acetamide
CID 139897846
3-[4-[(5-ethynyl-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-dimethylpropanamide
CID 139897564
ethyl 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-2-carboxylate
CID 139897240
ethyl N-[[4-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methylsulfonyl]carbamate
CID 139897127
2-[4-[[5-(N-methoxycarbonylcarbamimidoyl)-1H-indol-2-yl]sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]acetic acid
CID 139897392
3-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylpropan-1-one
CID 22710102

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCC3NOC(=O)N3)sc2C1.
What is the InChIKey of 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?
The InChIKey is LOAZJJXFQKUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O5S2/c1-30-7-6-18-19(13-30)38-22(27-18)23(33)32-9-8-31(12-16(32)3-5-20-28-24(34)37-29-20)39(35,36)21-11-14-10-15(25)2-4-17(14)26-21/h2,4,10-11,16,20,26,29H,3,5-9,12-13H2,1H3,(H,28,34).
What are the key properties of 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?
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 has a molecular weight of 594.12 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139897586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).