N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C18H21ClN4O2S — CID 170721632

IUPACN-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCCN(C)Cc1c(C(=O)Nc2ccccc2Cl)[nH]c2nc(C)sc12
InChIInChI=1S/C18H21ClN4O2S/c1-11-20-17-16(26-11)12(10-23(2)8-9-25-3)15(22-17)18(24)21-14-7-5-4-6-13(14)19/h4-7,22H,8-10H2,1-3H3,(H,21,24)
InChIKeyHIBIUGWBUHPZDL-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.92
Rot. Bonds7

About N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 170721632) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID170721632
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCCN(C)Cc1c(C(=O)Nc2ccccc2Cl)[nH]c2nc(C)sc12
InChIInChI=1S/C18H21ClN4O2S/c1-11-20-17-16(26-11)12(10-23(2)8-9-25-3)15(22-17)18(24)21-14-7-5-4-6-13(14)19/h4-7,22H,8-10H2,1-3H3,(H,21,24)
InChIKeyHIBIUGWBUHPZDL-UHFFFAOYSA-N
XLogP3.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][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-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 170721632) is N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is COCCN(C)Cc1c(C(=O)Nc2ccccc2Cl)[nH]c2nc(C)sc12.
What is the InChIKey of N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is HIBIUGWBUHPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-11-20-17-16(26-11)12(10-23(2)8-9-25-3)15(22-17)18(24)21-14-7-5-4-6-13(14)19/h4-7,22H,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-[[2-methoxyethyl(methyl)amino]methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 170721632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).