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

C18H14N4OS — CID 71890885

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C18H14N4OS/c23-17(15-11-20-16-14(15)7-4-8-19-16)21-18-22(9-10-24-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20)/b21-18+
InChIKeyVTXBMVZVPUSAJF-DYTRJAOYSA-N
MW334.40 g/mol
LogP3.22
Rot. Bonds3

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

N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 71890885) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID71890885
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C18H14N4OS/c23-17(15-11-20-16-14(15)7-4-8-19-16)21-18-22(9-10-24-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20)/b21-18+
InChIKeyVTXBMVZVPUSAJF-DYTRJAOYSA-N
XLogP3.22
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 71890885) is N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(/N=c1/sccn1Cc1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VTXBMVZVPUSAJF-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17(15-11-20-16-14(15)7-4-8-19-16)21-18-22(9-10-24-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20)/b21-18+.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71890885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).