4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile

C22H21N5OS — CID 58523975

IUPAC4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccc(C#N)cc3)c3nccn3c2)s1
InChIInChI=1S/C22H21N5OS/c1-3-28-14-15(2)26-22-25-12-20(29-22)18-10-19(21-24-8-9-27(21)13-18)17-6-4-16(11-23)5-7-17/h4-10,12-13,15H,3,14H2,1-2H3,(H,25,26)
InChIKeyULDXXKHLEGSGDT-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.83
Rot. Bonds7

About 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile

4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile (PubChem CID 58523975) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile
PubChem CID58523975
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccc(C#N)cc3)c3nccn3c2)s1
InChIInChI=1S/C22H21N5OS/c1-3-28-14-15(2)26-22-25-12-20(29-22)18-10-19(21-24-8-9-27(21)13-18)17-6-4-16(11-23)5-7-17/h4-10,12-13,15H,3,14H2,1-2H3,(H,25,26)
InChIKeyULDXXKHLEGSGDT-UHFFFAOYSA-N
XLogP4.83
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile with MolForge

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Related Compounds

2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol
CID 20823993
N-(2-ethyl-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 117628557
3-[5-(2-Methylimidazol-1-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzonitrile
CID 44402784
2-((2-Ethyl-6-(piperidin-4-yl)imidazo[1,2-a]pyrazin-3-yl)(methyl)amino)-4-(4-fluorophenyl) thiazole-5-carbonitrile
CID 117763843
US9670204, 161 2-(2-((2-ethyl-6-(piperazin-1-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-5-methylthiazol-4-yl)-5-fluorobenzonitrile
CID 78427128
US10100046, Example 3
CID 118633006
US10100046, Example 8
CID 118633008
4-[5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645850
4-[8-[2-(2-Amino-1,3-thiazol-4-yl)ethylamino]-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645871
US10112950, Example 23
CID 137529499
1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75367426
N-(2-morpholin-4-ylethyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 155814373

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile (CID 58523975) is 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile is CCOCC(C)Nc1ncc(-c2cc(-c3ccc(C#N)cc3)c3nccn3c2)s1.
What is the InChIKey of 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile?
The InChIKey is ULDXXKHLEGSGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-3-28-14-15(2)26-22-25-12-20(29-22)18-10-19(21-24-8-9-27(21)13-18)17-6-4-16(11-23)5-7-17/h4-10,12-13,15H,3,14H2,1-2H3,(H,25,26).
What are the key properties of 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile?
4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile has a molecular weight of 403.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile is sourced from PubChem (CID 58523975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).