4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide

C22H20N4O2S — CID 44548619

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
SMILESCC(C)(CO)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1
InChIInChI=1S/C22H20N4O2S/c1-22(2,13-27)16-5-3-15(4-6-16)19(28)26-21-25-18-8-7-17(24-20(18)29-21)14-9-11-23-12-10-14/h3-12,27H,13H2,1-2H3,(H,25,26,28)
InChIKeyKFHWQNRIJGFXQL-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.28
Rot. Bonds5

About 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide

4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide (PubChem CID 44548619) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
PubChem CID44548619
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
SMILESCC(C)(CO)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1
InChIInChI=1S/C22H20N4O2S/c1-22(2,13-27)16-5-3-15(4-6-16)19(28)26-21-25-18-8-7-17(24-20(18)29-21)14-9-11-23-12-10-14/h3-12,27H,13H2,1-2H3,(H,25,26,28)
InChIKeyKFHWQNRIJGFXQL-UHFFFAOYSA-N
XLogP4.28
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548454
N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide
CID 88586525
N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide
CID 58015371
1-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 89034691
4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
CID 44548457
4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548269
4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90606233
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 143927839
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide (CID 44548619) is 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide is CC(C)(CO)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The InChIKey is KFHWQNRIJGFXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-22(2,13-27)16-5-3-15(4-6-16)19(28)26-21-25-18-8-7-17(24-20(18)29-21)14-9-11-23-12-10-14/h3-12,27H,13H2,1-2H3,(H,25,26,28).
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide has a molecular weight of 404.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 44548619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).