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

C21H25N5O2S — CID 44548269

IUPAC4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCN1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1
InChIInChI=1S/C21H25N5O2S/c1-21(2,28)15-6-4-14(5-7-15)18(27)24-20-22-16-8-9-17(23-19(16)29-20)26-12-10-25(3)11-13-26/h4-9,28H,10-13H2,1-3H3,(H,22,24,27)
InChIKeyVGHJKRFPOYHWEI-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.92
Rot. Bonds4

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

4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (PubChem CID 44548269) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
PubChem CID44548269
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCN1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1
InChIInChI=1S/C21H25N5O2S/c1-21(2,28)15-6-4-14(5-7-15)18(27)24-20-22-16-8-9-17(23-19(16)29-20)26-12-10-25(3)11-13-26/h4-9,28H,10-13H2,1-3H3,(H,22,24,27)
InChIKeyVGHJKRFPOYHWEI-UHFFFAOYSA-N
XLogP2.92
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-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
4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
CID 44548619
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
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90606233
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 26251688
N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide
CID 122555301

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (CID 44548269) is 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-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-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is CN1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The InChIKey is VGHJKRFPOYHWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-21(2,28)15-6-4-14(5-7-15)18(27)24-20-22-16-8-9-17(23-19(16)29-20)26-12-10-25(3)11-13-26/h4-9,28H,10-13H2,1-3H3,(H,22,24,27).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide has a molecular weight of 411.53 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 44548269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).