N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide

C22H21ClN4O2S — CID 16915047

IUPACN-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O2S/c23-18-8-6-17(7-9-18)20(28)25-22-24-19(15-30-22)21(29)27-12-10-26(11-13-27)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,24,25,28)
InChIKeyFAIYFLDFYAYYSE-UHFFFAOYSA-N
MW440.96 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide

N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide (PubChem CID 16915047) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
PubChem CID16915047
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC NameN-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O2S/c23-18-8-6-17(7-9-18)20(28)25-22-24-19(15-30-22)21(29)27-12-10-26(11-13-27)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,24,25,28)
InChIKeyFAIYFLDFYAYYSE-UHFFFAOYSA-N
XLogP4.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915172
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
CID 150361392
3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46113810
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
4-benzoyl-N-[[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-amine oxide
CID 163620208
2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16914901
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide (CID 16915047) is N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide is O=C(Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide?
The InChIKey is FAIYFLDFYAYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c23-18-8-6-17(7-9-18)20(28)25-22-24-19(15-30-22)21(29)27-12-10-26(11-13-27)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,24,25,28).
What are the key properties of N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide?
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide has a molecular weight of 440.96 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 16915047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).