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

C22H26N4O3S — CID 44548270

IUPAC4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCOC1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1
InChIInChI=1S/C22H26N4O3S/c1-22(2,28)15-6-4-14(5-7-15)19(27)25-21-23-17-8-9-18(24-20(17)30-21)26-12-10-16(29-3)11-13-26/h4-9,16,28H,10-13H2,1-3H3,(H,23,25,27)
InChIKeyINYJDHPFCLWTQD-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.79
Rot. Bonds5

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

4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (PubChem CID 44548270) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
PubChem CID44548270
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCOC1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1
InChIInChI=1S/C22H26N4O3S/c1-22(2,28)15-6-4-14(5-7-15)19(27)25-21-23-17-8-9-18(24-20(17)30-21)26-12-10-16(29-3)11-13-26/h4-9,16,28H,10-13H2,1-3H3,(H,23,25,27)
InChIKeyINYJDHPFCLWTQD-UHFFFAOYSA-N
XLogP3.79
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.79
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-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548269
4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548454
4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90606233
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
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-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
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
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
2-(4-methoxypiperidin-1-yl)quinolin-6-amine
CID 43451016
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (CID 44548270) is 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-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-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is COC1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The InChIKey is INYJDHPFCLWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-22(2,28)15-6-4-14(5-7-15)19(27)25-21-23-17-8-9-18(24-20(17)30-21)26-12-10-16(29-3)11-13-26/h4-9,16,28H,10-13H2,1-3H3,(H,23,25,27).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[5-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.79, 5 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-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 44548270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).