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N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C16H11N5OS — CID 156824388

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1\sccn1-c1ccccn1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H11N5OS/c22-15(12-10-19-14-11(12)4-3-7-18-14)20-16-21(8-9-23-16)13-5-1-2-6-17-13/h1-10H,(H,18,19)/b20-16-
InChIKeyWCYTWPPVXBLJDT-SILNSSARSA-N
MW321.37 g/mol
LogP2.55
Rot. Bonds2

About N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156824388) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156824388
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC NameN-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1\sccn1-c1ccccn1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H11N5OS/c22-15(12-10-19-14-11(12)4-3-7-18-14)20-16-21(8-9-23-16)13-5-1-2-6-17-13/h1-10H,(H,18,19)/b20-16-
InChIKeyWCYTWPPVXBLJDT-SILNSSARSA-N
XLogP2.55
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156824388) is N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(/N=c1\sccn1-c1ccccn1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is WCYTWPPVXBLJDT-SILNSSARSA-N. The full InChI is InChI=1S/C16H11N5OS/c22-15(12-10-19-14-11(12)4-3-7-18-14)20-16-21(8-9-23-16)13-5-1-2-6-17-13/h1-10H,(H,18,19)/b20-16-.
What are the key properties of N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156824388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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