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

C18H24ClN7O2S — CID 173184060

IUPACN-(5-chloro-2-pyridinyl)-2-[4-[3-[2-[(4S)-4-cyano-1,3-thiazolidin-3-yl]ethyl]oxadiaziridin-2-yl]piperidin-1-yl]acetamide
SMILESN#C[C@H]1CSCN1CCn1on1C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H24ClN7O2S/c19-14-1-2-17(21-10-14)22-18(27)11-23-5-3-15(4-6-23)26-25(28-26)8-7-24-13-29-12-16(24)9-20/h1-2,10,15-16H,3-8,11-13H2,(H,21,22,27)/t16-,25?,26?/m0/s1
InChIKeyFPXOAVWGAQPYBH-SCYPZSPKSA-N
MW437.96 g/mol
LogP2.11
Rot. Bonds7

About 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

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 (PubChem CID 173184060) has the molecular formula C18H24ClN7O2S and a molecular weight of 437.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-[3-[2-[(4S)-4-cyano-1,3-thiazolidin-3-yl]ethyl]oxadiaziridin-2-yl]piperidin-1-yl]acetamide
PubChem CID173184060
Molecular FormulaC18H24ClN7O2S
Molecular Weight437.96 g/mol
Exact Mass437.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-[3-[2-[(4S)-4-cyano-1,3-thiazolidin-3-yl]ethyl]oxadiaziridin-2-yl]piperidin-1-yl]acetamide
SMILESN#C[C@H]1CSCN1CCn1on1C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H24ClN7O2S/c19-14-1-2-17(21-10-14)22-18(27)11-23-5-3-15(4-6-23)26-25(28-26)8-7-24-13-29-12-16(24)9-20/h1-2,10,15-16H,3-8,11-13H2,(H,21,22,27)/t16-,25?,26?/m0/s1
InChIKeyFPXOAVWGAQPYBH-SCYPZSPKSA-N
XLogP2.11
TPSA95.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 173184060) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#C[C@H]1CSCN1CCn1on1C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is FPXOAVWGAQPYBH-SCYPZSPKSA-N. The full InChI is InChI=1S/C18H24ClN7O2S/c19-14-1-2-17(21-10-14)22-18(27)11-23-5-3-15(4-6-23)26-25(28-26)8-7-24-13-29-12-16(24)9-20/h1-2,10,15-16H,3-8,11-13H2,(H,21,22,27)/t16-,25?,26?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 437.96 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 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-[2-[(4S)-4-cyano-1,3-thiazolidin-3-yl]ethyl]oxadiaziridin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 173184060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).