4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine

C15H14N6OS — CID 66749609

IUPAC4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
SMILESc1cc(-c2cn3nc(N4CCOCC4)sc3n2)c2cn[nH]c2c1
InChIInChI=1S/C15H14N6OS/c1-2-10(11-8-16-18-12(11)3-1)13-9-21-14(17-13)23-15(19-21)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,18)
InChIKeyPPMODMFTEGJCBE-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.17
Rot. Bonds2

About 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine

4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine (PubChem CID 66749609) has the molecular formula C15H14N6OS and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
PubChem CID66749609
Molecular FormulaC15H14N6OS
Molecular Weight326.38 g/mol
Exact Mass326.09
IUPAC Name4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
SMILESc1cc(-c2cn3nc(N4CCOCC4)sc3n2)c2cn[nH]c2c1
InChIInChI=1S/C15H14N6OS/c1-2-10(11-8-16-18-12(11)3-1)13-9-21-14(17-13)23-15(19-21)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,18)
InChIKeyPPMODMFTEGJCBE-UHFFFAOYSA-N
XLogP2.17
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]morpholine
CID 53353753
4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
CID 66748172
2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
CID 121300711
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46204597
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
4-[2-[(4-tert-butylpiperazin-1-yl)methyl]-5-(1H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 140863782
4-[6-(1H-indazol-4-yl)-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 56966913
4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine
CID 172750261
4-[2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-(1H-indazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067975
2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanol
CID 174682351

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine (CID 66749609) is 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine is c1cc(-c2cn3nc(N4CCOCC4)sc3n2)c2cn[nH]c2c1.
What is the InChIKey of 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine?
The InChIKey is PPMODMFTEGJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-2-10(11-8-16-18-12(11)3-1)13-9-21-14(17-13)23-15(19-21)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,18).
What are the key properties of 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine?
4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine has a molecular weight of 326.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine is sourced from PubChem (CID 66749609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).