(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide

C15H14ClN5O5S2 — CID 45102288

IUPAC(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)[C@H](O)CO)sc3n2)cnc1Cl
InChIInChI=1S/C15H14ClN5O5S2/c1-28(25,26)21-10-4-7(5-17-12(10)16)8-2-3-9-14(18-8)27-15(19-9)20-13(24)11(23)6-22/h2-5,11,21-23H,6H2,1H3,(H,19,20,24)/t11-/m1/s1
InChIKeyCASWGGBDRIPWFE-LLVKDONJSA-N
MW443.89 g/mol
LogP1.07
Rot. Bonds6

About (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide

(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide (PubChem CID 45102288) has the molecular formula C15H14ClN5O5S2 and a molecular weight of 443.89 g/mol. Its IUPAC name is (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide
PubChem CID45102288
Molecular FormulaC15H14ClN5O5S2
Molecular Weight443.89 g/mol
Exact Mass443.01
IUPAC Name(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)[C@H](O)CO)sc3n2)cnc1Cl
InChIInChI=1S/C15H14ClN5O5S2/c1-28(25,26)21-10-4-7(5-17-12(10)16)8-2-3-9-14(18-8)27-15(19-9)20-13(24)11(23)6-22/h2-5,11,21-23H,6H2,1H3,(H,19,20,24)/t11-/m1/s1
InChIKeyCASWGGBDRIPWFE-LLVKDONJSA-N
XLogP1.07
TPSA154.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide with MolForge

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Related Compounds

N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
N-[5-[6-chloro-5-[(1-methylpiperidin-4-yl)methylsulfonylamino]-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623500
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
N-[2-chloro-5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]methanesulfonamide
CID 137370797
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 86620385
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
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-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
CID 87950103
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 87177165
N-[2-chloro-5-[3-cyano-4-[(3-fluorophenyl)methylamino]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 171341562
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 87176825
1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382418

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide?
The IUPAC name of (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide (CID 45102288) is (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide.
What is the SMILES notation for (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide?
The canonical SMILES for (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide is CS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)[C@H](O)CO)sc3n2)cnc1Cl.
What is the InChIKey of (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide?
The InChIKey is CASWGGBDRIPWFE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14ClN5O5S2/c1-28(25,26)21-10-4-7(5-17-12(10)16)8-2-3-9-14(18-8)27-15(19-9)20-13(24)11(23)6-22/h2-5,11,21-23H,6H2,1H3,(H,19,20,24)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide?
(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide has a molecular weight of 443.89 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 45102288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).