2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide

C46H48N8O4S2 — CID 158983518

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.C[C@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/2C23H24N4O2S/c2*1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21/h2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28)/t2*15-/m10/s1
InChIKeyJPHBLPSHHYHOOB-ZWZQDMJTSA-N
MW841.08 g/mol
LogP7.59
Rot. Bonds8

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 158983518) has the molecular formula C46H48N8O4S2 and a molecular weight of 841.08 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID158983518
Molecular FormulaC46H48N8O4S2
Molecular Weight841.08 g/mol
Exact Mass840.32
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.C[C@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/2C23H24N4O2S/c2*1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21/h2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28)/t2*15-/m10/s1
InChIKeyJPHBLPSHHYHOOB-ZWZQDMJTSA-N
XLogP7.59
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.08
LogP ≤ 57.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,3-Dihydro-1-Benzofuran-5-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 25095215
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095483
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 25095744
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 25095999
2-(4-methoxy-3-methylphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70683919
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70688170
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70692361
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098351
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide
CID 70681807
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70683921

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 158983518) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide is C[C@@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.C[C@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JPHBLPSHHYHOOB-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C23H24N4O2S/c2*1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21/h2*2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28)/t2*15-/m10/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 841.08 g/mol, XLogP of 7.59, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2S)-2-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158983518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).