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

C17H13N5OS — CID 156824247

IUPACN-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccn1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H13N5OS/c23-16(14-10-20-15-13(14)5-3-7-19-15)21-17-22(8-9-24-17)11-12-4-1-2-6-18-12/h1-10H,11H2,(H,19,20)/b21-17+
InChIKeyHHTWPKKOTLZHOH-HEHNFIMWSA-N
MW335.39 g/mol
LogP2.61
Rot. Bonds3

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

N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156824247) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156824247
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccn1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H13N5OS/c23-16(14-10-20-15-13(14)5-3-7-19-15)21-17-22(8-9-24-17)11-12-4-1-2-6-18-12/h1-10H,11H2,(H,19,20)/b21-17+
InChIKeyHHTWPKKOTLZHOH-HEHNFIMWSA-N
XLogP2.61
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824431
N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824388
N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824346
N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824445
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
tert-butyl 4-[2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylimino)-1,3-thiazol-3-yl]piperidine-1-carboxylate
CID 166523118
2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067332
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167458161
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156824247) is N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(/N=c1/sccn1Cc1ccccn1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HHTWPKKOTLZHOH-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-16(14-10-20-15-13(14)5-3-7-19-15)21-17-22(8-9-24-17)11-12-4-1-2-6-18-12/h1-10H,11H2,(H,19,20)/b21-17+.
What are the key properties of N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156824247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).