N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide

C19H26ClN7O2S — CID 173201670

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide
SMILESCCC1SCC(C#N)N1n1on1C1CCC(NCC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H26ClN7O2S/c1-2-19-25(16(9-21)12-30-19)27-26(29-27)15-6-4-14(5-7-15)22-11-18(28)24-17-8-3-13(20)10-23-17/h3,8,10,14-16,19,22H,2,4-7,11-12H2,1H3,(H,23,24,28)
InChIKeyIDBQSAGDBSQRAH-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.96
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide

N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide (PubChem CID 173201670) has the molecular formula C19H26ClN7O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide
PubChem CID173201670
Molecular FormulaC19H26ClN7O2S
Molecular Weight451.98 g/mol
Exact Mass451.16
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide
SMILESCCC1SCC(C#N)N1n1on1C1CCC(NCC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H26ClN7O2S/c1-2-19-25(16(9-21)12-30-19)27-26(29-27)15-6-4-14(5-7-15)22-11-18(28)24-17-8-3-13(20)10-23-17/h3,8,10,14-16,19,22H,2,4-7,11-12H2,1H3,(H,23,24,28)
InChIKeyIDBQSAGDBSQRAH-UHFFFAOYSA-N
XLogP2.96
TPSA104.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-(ethylamino)amino]piperidin-1-yl]acetamide;hydrochloride
CID 46882903
2-[4-[amino-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;trihydrochloride
CID 90664925
N-(5-chloro-2-pyridinyl)-2-[4-[3-[2-[(4S)-4-cyano-1,3-thiazolidin-3-yl]ethyl]oxadiaziridin-2-yl]piperidin-1-yl]acetamide;tris(2,2,2-trifluoroacetic acid)
CID 173184059
N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide;tris(2,2,2-trifluoroacetic acid)
CID 173201669
N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide;tris(2,2,2-trifluoroacetic acid)
CID 173201715
N-(5-Chloro-pyridin-2-yl)-2-(4-{N-[2-((R)-4-cyano-thiazolidin-3-yl)-2-oxo-ethyl]-hydrazino}-piperidin-1-yl)-acetamide, trifluoroacetate
CID 46188797
(R)-N-(5-chloropyridin-2-yl)-2-(4-(1-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-2-ethylhydrazinyl)piperidin-1-yl)acetamide hydrochloride
CID 46882904
(S)-N-(5-chloropyridin-2-yl)-2-(4-(1-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)hydrazinyl)piperidin-1-yl)acetamide 2,2,2-trifluoroacetate
CID 46882908
2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 10344824
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-2,3a,4,6-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(tetrazol-1-yl)cyclohexyl]oxamide
CID 69011889
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-2,4,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(tetrazol-1-yl)cyclohexyl]oxamide
CID 69011890
N-(5-cyano-2-pyridinyl)-2-[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]piperidin-1-yl]acetamide
CID 69551541

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide (CID 173201670) is N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide is CCC1SCC(C#N)N1n1on1C1CCC(NCC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
The InChIKey is IDBQSAGDBSQRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7O2S/c1-2-19-25(16(9-21)12-30-19)27-26(29-27)15-6-4-14(5-7-15)22-11-18(28)24-17-8-3-13(20)10-23-17/h3,8,10,14-16,19,22H,2,4-7,11-12H2,1H3,(H,23,24,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide has a molecular weight of 451.98 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-[3-(4-cyano-2-ethyl-1,3-thiazolidin-3-yl)oxadiaziridin-2-yl]cyclohexyl]amino]acetamide is sourced from PubChem (CID 173201670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).