N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide

C15H11N5OS — CID 44623179

IUPACN-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc4cc[nH]c4c3)nc2s1
InChIInChI=1S/C15H11N5OS/c1-8(21)18-15-20-12-3-2-10(19-14(12)22-15)9-6-13-11(17-7-9)4-5-16-13/h2-7,16H,1H3,(H,18,20,21)
InChIKeyBCQNLVNUDIISOD-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.19
Rot. Bonds2

About N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide

N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide (PubChem CID 44623179) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
PubChem CID44623179
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC NameN-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc4cc[nH]c4c3)nc2s1
InChIInChI=1S/C15H11N5OS/c1-8(21)18-15-20-12-3-2-10(19-14(12)22-15)9-6-13-11(17-7-9)4-5-16-13/h2-7,16H,1H3,(H,18,20,21)
InChIKeyBCQNLVNUDIISOD-UHFFFAOYSA-N
XLogP3.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-[5-[6-chloro-5-[(1-methylpiperidin-4-yl)methylsulfonylamino]-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623500
(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 45102288
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
CID 58357227
6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine
CID 162768564
4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548454
1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone
CID 91491242
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-[6-[2-(4-fluorophenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182427
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-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 87278841

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide (CID 44623179) is N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc4cc[nH]c4c3)nc2s1.
What is the InChIKey of N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide?
The InChIKey is BCQNLVNUDIISOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-8(21)18-15-20-12-3-2-10(19-14(12)22-15)9-6-13-11(17-7-9)4-5-16-13/h2-7,16H,1H3,(H,18,20,21).
What are the key properties of N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide?
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide has a molecular weight of 309.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 44623179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).