N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

C23H26N4O2S — CID 3039479

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C23H26N4O2S/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKeyWLYGBSGJJNNCSO-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.37
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 3039479) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID3039479
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C23H26N4O2S/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKeyWLYGBSGJJNNCSO-UHFFFAOYSA-N
XLogP3.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 3039479) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2cnc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WLYGBSGJJNNCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,24,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).