2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

C24H26N6O2S — CID 11547150

IUPAC2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C24H26N6O2S/c31-22(14-17-3-1-4-18(13-17)32-12-11-30-9-7-25-8-10-30)29-24-28-21(16-33-24)20-15-27-23-19(20)5-2-6-26-23/h1-6,13,15-16,25H,7-12,14H2,(H,26,27)(H,28,29,31)
InChIKeyOOJQKVSIHCGTSV-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.15
Rot. Bonds8

About 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11547150) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11547150
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C24H26N6O2S/c31-22(14-17-3-1-4-18(13-17)32-12-11-30-9-7-25-8-10-30)29-24-28-21(16-33-24)20-15-27-23-19(20)5-2-6-26-23/h1-6,13,15-16,25H,7-12,14H2,(H,26,27)(H,28,29,31)
InChIKeyOOJQKVSIHCGTSV-UHFFFAOYSA-N
XLogP3.15
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide 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 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11547150) is 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1.
What is the InChIKey of 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OOJQKVSIHCGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c31-22(14-17-3-1-4-18(13-17)32-12-11-30-9-7-25-8-10-30)29-24-28-21(16-33-24)20-15-27-23-19(20)5-2-6-26-23/h1-6,13,15-16,25H,7-12,14H2,(H,26,27)(H,28,29,31).
What are the key properties of 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11547150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).