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

C17H11ClN4OS — CID 156824445

IUPACN-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1\sccn1-c1cccc(Cl)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H11ClN4OS/c18-11-3-1-4-12(9-11)22-7-8-24-17(22)21-16(23)14-10-20-15-13(14)5-2-6-19-15/h1-10H,(H,19,20)/b21-17-
InChIKeyPCXNHCHXOWDDBZ-FXBPSFAMSA-N
MW354.82 g/mol
LogP3.81
Rot. Bonds2

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

N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156824445) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156824445
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC NameN-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1\sccn1-c1cccc(Cl)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H11ClN4OS/c18-11-3-1-4-12(9-11)22-7-8-24-17(22)21-16(23)14-10-20-15-13(14)5-2-6-19-15/h1-10H,(H,19,20)/b21-17-
InChIKeyPCXNHCHXOWDDBZ-FXBPSFAMSA-N
XLogP3.81
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824247
N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824431
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167458161
tert-butyl 4-[2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylimino)-1,3-thiazol-3-yl]piperidine-1-carboxylate
CID 166523118
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156824445) is N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(/N=c1\sccn1-c1cccc(Cl)c1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is PCXNHCHXOWDDBZ-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-11-3-1-4-12(9-11)22-7-8-24-17(22)21-16(23)14-10-20-15-13(14)5-2-6-19-15/h1-10H,(H,19,20)/b21-17-.
What are the key properties of N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156824445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).