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

C21H24N4O2S — CID 44548457

IUPAC4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C21H24N4O2S/c1-21(2,27)15-8-6-14(7-9-15)18(26)24-20-22-16-10-11-17(23-19(16)28-20)25-12-4-3-5-13-25/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,24,26)
InChIKeyRJECESFAROFLTO-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.16
Rot. Bonds4

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

4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide (PubChem CID 44548457) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
PubChem CID44548457
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C21H24N4O2S/c1-21(2,27)15-8-6-14(7-9-15)18(26)24-20-22-16-10-11-17(23-19(16)28-20)25-12-4-3-5-13-25/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,24,26)
InChIKeyRJECESFAROFLTO-UHFFFAOYSA-N
XLogP4.16
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548269
4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548270
4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548454
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 59318113
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
CID 44548619
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
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
methyl 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate
CID 1136431
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide (CID 44548457) is 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide is CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCCCC4)nc3s2)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The InChIKey is RJECESFAROFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-21(2,27)15-8-6-14(7-9-15)18(26)24-20-22-16-10-11-17(23-19(16)28-20)25-12-4-3-5-13-25/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,24,26).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide has a molecular weight of 396.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-(5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 44548457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).