N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide

C23H25ClN4OS — CID 71840355

IUPACN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C23H25ClN4OS/c1-2-26(16-18-7-4-3-5-8-18)22(29)21-17-30-23(25-21)28-13-11-27(12-14-28)20-10-6-9-19(24)15-20/h3-10,15,17H,2,11-14,16H2,1H3
InChIKeySHKWCUKWVRPBNY-UHFFFAOYSA-N
MW441.00 g/mol
LogP4.79
Rot. Bonds6

About N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide

N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 71840355) has the molecular formula C23H25ClN4OS and a molecular weight of 441.00 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID71840355
Molecular FormulaC23H25ClN4OS
Molecular Weight441.00 g/mol
Exact Mass440.14
IUPAC NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C23H25ClN4OS/c1-2-26(16-18-7-4-3-5-8-18)22(29)21-17-30-23(25-21)28-13-11-27(12-14-28)20-10-6-9-19(24)15-20/h3-10,15,17H,2,11-14,16H2,1H3
InChIKeySHKWCUKWVRPBNY-UHFFFAOYSA-N
XLogP4.79
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53161120
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 53161135
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
CID 109238491
2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80567491
N-benzyl-N-[(3-chlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59768212

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 71840355) is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is SHKWCUKWVRPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4OS/c1-2-26(16-18-7-4-3-5-8-18)22(29)21-17-30-23(25-21)28-13-11-27(12-14-28)20-10-6-9-19(24)15-20/h3-10,15,17H,2,11-14,16H2,1H3.
What are the key properties of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 441.00 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).