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

C22H20N4O3S — CID 44548454

IUPAC4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCOc1cc(-c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)ccn1
InChIInChI=1S/C22H20N4O3S/c1-22(2,28)15-6-4-13(5-7-15)19(27)26-21-25-17-9-8-16(24-20(17)30-21)14-10-11-23-18(12-14)29-3/h4-12,28H,1-3H3,(H,25,26,27)
InChIKeyKAWFHVFNVLXIND-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.24
Rot. Bonds5

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

4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (PubChem CID 44548454) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
PubChem CID44548454
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCOc1cc(-c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)ccn1
InChIInChI=1S/C22H20N4O3S/c1-22(2,28)15-6-4-13(5-7-15)19(27)26-21-25-17-9-8-16(24-20(17)30-21)14-10-11-23-18(12-14)29-3/h4-12,28H,1-3H3,(H,25,26,27)
InChIKeyKAWFHVFNVLXIND-UHFFFAOYSA-N
XLogP4.24
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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-(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-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3456818
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-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
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
2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid
CID 166127549
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-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (CID 44548454) is 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is COc1cc(-c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)ccn1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The InChIKey is KAWFHVFNVLXIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-22(2,28)15-6-4-13(5-7-15)19(27)26-21-25-17-9-8-16(24-20(17)30-21)14-10-11-23-18(12-14)29-3/h4-12,28H,1-3H3,(H,25,26,27).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 4.24, 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-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 44548454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).