6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde

C16H10N4OS — CID 142493126

IUPAC6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cnc3[nH]c(-c4nccs4)cc3c2)n1
InChIInChI=1S/C16H10N4OS/c21-9-12-2-1-3-13(19-12)11-6-10-7-14(16-17-4-5-22-16)20-15(10)18-8-11/h1-9H,(H,18,20)
InChIKeyWTRRTXHJCBYZNY-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.56
Rot. Bonds3

About 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde

6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde (PubChem CID 142493126) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde
PubChem CID142493126
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cnc3[nH]c(-c4nccs4)cc3c2)n1
InChIInChI=1S/C16H10N4OS/c21-9-12-2-1-3-13(19-12)11-6-10-7-14(16-17-4-5-22-16)20-15(10)18-8-11/h1-9H,(H,18,20)
InChIKeyWTRRTXHJCBYZNY-UHFFFAOYSA-N
XLogP3.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-2-methylpropyl)-6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide
CID 142493141
2-(3,6-dihydro-2H-thiopyran-4-yl)-5-(6-iodo-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 129208845
2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 10582938
6,6-dimethyl-3-(1,3-thiazol-2-yl)-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-5,7-dihydro-1H-indol-4-one
CID 67601492
2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 177255972
5-(6-iodo-2-pyridinyl)-2-(2,3,4,7-tetrahydro-1H-azepin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 134402707
3-[methyl-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]amino]sulfanylthiophene-2-carboxylic acid
CID 126635145
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
CID 137387265
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde (CID 142493126) is 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde is O=Cc1cccc(-c2cnc3[nH]c(-c4nccs4)cc3c2)n1.
What is the InChIKey of 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde?
The InChIKey is WTRRTXHJCBYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c21-9-12-2-1-3-13(19-12)11-6-10-7-14(16-17-4-5-22-16)20-15(10)18-8-11/h1-9H,(H,18,20).
What are the key properties of 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde?
6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde has a molecular weight of 306.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 142493126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).