2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole

C26H14N6OS2 — CID 141445848

IUPAC2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3c(-c4cn5ccnc5s4)nn4cccc(-c5nc6ccccc6s5)c34)nc2c1
InChIInChI=1S/C26H14N6OS2/c1-3-9-18-16(7-1)28-24(33-18)21-22(20-14-31-13-11-27-26(31)35-20)30-32-12-5-6-15(23(21)32)25-29-17-8-2-4-10-19(17)34-25/h1-14H
InChIKeyJJRLJXVAEKQCTD-UHFFFAOYSA-N
MW490.57 g/mol
LogP6.80
Rot. Bonds3

About 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole

2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole (PubChem CID 141445848) has the molecular formula C26H14N6OS2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole
PubChem CID141445848
Molecular FormulaC26H14N6OS2
Molecular Weight490.57 g/mol
Exact Mass490.07
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3c(-c4cn5ccnc5s4)nn4cccc(-c5nc6ccccc6s5)c34)nc2c1
InChIInChI=1S/C26H14N6OS2/c1-3-9-18-16(7-1)28-24(33-18)21-22(20-14-31-13-11-27-26(31)35-20)30-32-12-5-6-15(23(21)32)25-29-17-8-2-4-10-19(17)34-25/h1-14H
InChIKeyJJRLJXVAEKQCTD-UHFFFAOYSA-N
XLogP6.80
TPSA73.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-(1-{[6-(1-Pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-3-piperidinyl)-1,3-benzoxazole
CID 45195736
2-(1-Benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607090
N-[(1R)-2-[(2S)-2-[[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-4-yl]oxymethyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 118068675
N-[(1R)-2-[(2R)-2-[[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-4-yl]oxymethyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 118068701
2-(5-Imidazo[2,1-b][1,3,4]thiadiazol-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)furo[3,2-b]pyridine
CID 132079688
3-[(1R)-2-[(2S)-2-[[2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-4-yl]oxymethyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 140673629
3-[(1R)-2-[(2R)-2-[[2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-4-yl]oxymethyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 140673634
2-[6-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine
CID 141100504
(5S)-2-[3-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 141761450
2-[3-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 154961241
4-(4-Methyl-3-pyridinyl)-3-phenyl-3,5,8,9-tetrazatricyclo[6.4.0.02,6]dodeca-1,4,6,9,11-pentaene;11-methyl-1,4,5,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene;11-oxa-4,5,15-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene;11-thia-4,8,15-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-1,4,5,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene
CID 157068453
11-Methyl-1,4,5,14-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene;11-oxa-4,5,14-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene;11-phenyl-4,5,11,14-tetraza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene;11-thia-4,5,14-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene
CID 157201793

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole (CID 141445848) is 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole is c1ccc2oc(-c3c(-c4cn5ccnc5s4)nn4cccc(-c5nc6ccccc6s5)c34)nc2c1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole?
The InChIKey is JJRLJXVAEKQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N6OS2/c1-3-9-18-16(7-1)28-24(33-18)21-22(20-14-31-13-11-27-26(31)35-20)30-32-12-5-6-15(23(21)32)25-29-17-8-2-4-10-19(17)34-25/h1-14H.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole?
2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole has a molecular weight of 490.57 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-2-ylpyrazolo[1,5-a]pyridin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 141445848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).