1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone

C21H21N7OS — CID 24957778

IUPAC1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)CC1
InChIInChI=1S/C21H21N7OS/c1-15(29)26-7-9-27(10-8-26)18-5-6-28-19(13-22-20(28)12-18)16-3-2-4-17(11-16)24-21-25-23-14-30-21/h2-6,11-14H,7-10H2,1H3,(H,24,25)
InChIKeyXJUWAEDKBHQVPV-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.26
Rot. Bonds4

About 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone

1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone (PubChem CID 24957778) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone
PubChem CID24957778
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)CC1
InChIInChI=1S/C21H21N7OS/c1-15(29)26-7-9-27(10-8-26)18-5-6-28-19(13-22-20(28)12-18)16-3-2-4-17(11-16)24-21-25-23-14-30-21/h2-6,11-14H,7-10H2,1H3,(H,24,25)
InChIKeyXJUWAEDKBHQVPV-UHFFFAOYSA-N
XLogP3.26
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 24957399
1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 70890039
1-[4-[4-(3-thieno[2,3-b]pyridin-3-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326852
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206
tert-butyl 4-[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 143706940
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 162371943
N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143707013
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921
1-[3-[7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320951
N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59321077

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone (CID 24957778) is 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)CC1.
What is the InChIKey of 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone?
The InChIKey is XJUWAEDKBHQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-15(29)26-7-9-27(10-8-26)18-5-6-28-19(13-22-20(28)12-18)16-3-2-4-17(11-16)24-21-25-23-14-30-21/h2-6,11-14H,7-10H2,1H3,(H,24,25).
What are the key properties of 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone?
1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone has a molecular weight of 419.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24957778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).