N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C17H12N4O2S — CID 167458161

IUPACN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H12N4O2S/c22-14-10-24-17(21(14)11-5-2-1-3-6-11)20-16(23)13-9-19-15-12(13)7-4-8-18-15/h1-9H,10H2,(H,18,19)/b20-17-
InChIKeyLXDWBSZQYJRZOA-JZJYNLBNSA-N
MW336.38 g/mol
LogP2.84
Rot. Bonds2

About N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 167458161) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID167458161
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H12N4O2S/c22-14-10-24-17(21(14)11-5-2-1-3-6-11)20-16(23)13-9-19-15-12(13)7-4-8-18-15/h1-9H,10H2,(H,18,19)/b20-17-
InChIKeyLXDWBSZQYJRZOA-JZJYNLBNSA-N
XLogP2.84
TPSA78.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824445
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824388
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824247
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824346
[(3R)-3-phenylthiomorpholin-4-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 97081773
2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391820

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 167458161) is N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(/N=C1\SCC(=O)N1c1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is LXDWBSZQYJRZOA-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-14-10-24-17(21(14)11-5-2-1-3-6-11)20-16(23)13-9-19-15-12(13)7-4-8-18-15/h1-9H,10H2,(H,18,19)/b20-17-.
What are the key properties of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 167458161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).