2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol

C11H8N4OS — CID 135400863

IUPAC2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESNc1nc(O)c(/C=C2\C=Nc3ncccc32)s1
InChIInChI=1S/C11H8N4OS/c12-11-15-10(16)8(17-11)4-6-5-14-9-7(6)2-1-3-13-9/h1-5,16H,(H2,12,15)/b6-4+
InChIKeyWCAYAQVTEAIHGQ-GQCTYLIASA-N
MW244.28 g/mol
LogP2.08
Rot. Bonds1

About 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol

2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135400863) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID135400863
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESNc1nc(O)c(/C=C2\C=Nc3ncccc32)s1
InChIInChI=1S/C11H8N4OS/c12-11-15-10(16)8(17-11)4-6-5-14-9-7(6)2-1-3-13-9/h1-5,16H,(H2,12,15)/b6-4+
InChIKeyWCAYAQVTEAIHGQ-GQCTYLIASA-N
XLogP2.08
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135659257
2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137168916
2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136628332
2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 159124390
2-phenyl-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135463519
2-[2-chloro-4-[2-(dimethylamino)ethoxy]anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137082220
2-(4-methylphenyl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712611
2-[4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137140664
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712499
2-(propylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712522
2-(furan-2-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136627613
2-(4-benzylpiperazin-1-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;trihydrochloride
CID 159605531

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135400863) is 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol is Nc1nc(O)c(/C=C2\C=Nc3ncccc32)s1.
What is the InChIKey of 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is WCAYAQVTEAIHGQ-GQCTYLIASA-N. The full InChI is InChI=1S/C11H8N4OS/c12-11-15-10(16)8(17-11)4-6-5-14-9-7(6)2-1-3-13-9/h1-5,16H,(H2,12,15)/b6-4+.
What are the key properties of 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 244.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135400863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).