2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide

C25H34N6O2S — CID 89437616

IUPAC2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2nc(CCc3cn(CC4CCOCC4)c4ccccc34)ns2)CC1
InChIInChI=1S/C25H34N6O2S/c26-23(32)17-29-9-11-30(12-10-29)18-25-27-24(28-34-25)6-5-20-16-31(15-19-7-13-33-14-8-19)22-4-2-1-3-21(20)22/h1-4,16,19H,5-15,17-18H2,(H2,26,32)
InChIKeyYCTLIDGKAIYGMZ-UHFFFAOYSA-N
MW482.65 g/mol
LogP2.31
Rot. Bonds9

About 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide

2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 89437616) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide
PubChem CID89437616
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2nc(CCc3cn(CC4CCOCC4)c4ccccc34)ns2)CC1
InChIInChI=1S/C25H34N6O2S/c26-23(32)17-29-9-11-30(12-10-29)18-25-27-24(28-34-25)6-5-20-16-31(15-19-7-13-33-14-8-19)22-4-2-1-3-21(20)22/h1-4,16,19H,5-15,17-18H2,(H2,26,32)
InChIKeyYCTLIDGKAIYGMZ-UHFFFAOYSA-N
XLogP2.31
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide
CID 68538155
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)indol-3-yl]butan-2-one;hydrochloride
CID 162116795
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 28697267
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
CID 102604202

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide (CID 89437616) is 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(Cc2nc(CCc3cn(CC4CCOCC4)c4ccccc34)ns2)CC1.
What is the InChIKey of 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is YCTLIDGKAIYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c26-23(32)17-29-9-11-30(12-10-29)18-25-27-24(28-34-25)6-5-20-16-31(15-19-7-13-33-14-8-19)22-4-2-1-3-21(20)22/h1-4,16,19H,5-15,17-18H2,(H2,26,32).
What are the key properties of 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 482.65 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 89437616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).