2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

C28H29ClN6OS — CID 69180187

IUPAC2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(CNC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C28H29ClN6OS/c1-20(34-14-16-35(17-15-34)28-30-12-5-13-31-28)19-32-25(36)18-24-26(21-8-10-23(29)11-9-21)33-27(37-24)22-6-3-2-4-7-22/h2-13,20H,14-19H2,1H3,(H,32,36)
InChIKeyRQYFFAZIFURHCM-UHFFFAOYSA-N
MW533.10 g/mol
LogP4.79
Rot. Bonds8

About 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 69180187) has the molecular formula C28H29ClN6OS and a molecular weight of 533.10 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID69180187
Molecular FormulaC28H29ClN6OS
Molecular Weight533.10 g/mol
Exact Mass532.18
IUPAC Name2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(CNC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C28H29ClN6OS/c1-20(34-14-16-35(17-15-34)28-30-12-5-13-31-28)19-32-25(36)18-24-26(21-8-10-23(29)11-9-21)33-27(37-24)22-6-3-2-4-7-22/h2-13,20H,14-19H2,1H3,(H,32,36)
InChIKeyRQYFFAZIFURHCM-UHFFFAOYSA-N
XLogP4.79
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.10
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 69179392
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 167938428
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 69180187) is 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is CC(CNC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is RQYFFAZIFURHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN6OS/c1-20(34-14-16-35(17-15-34)28-30-12-5-13-31-28)19-32-25(36)18-24-26(21-8-10-23(29)11-9-21)33-27(37-24)22-6-3-2-4-7-22/h2-13,20H,14-19H2,1H3,(H,32,36).
What are the key properties of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 533.10 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 69180187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).