3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide

C21H20N4O3S — CID 11269806

IUPAC3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCN(C(=O)c3sc(=O)[nH]c3-c3ccccc3)CC2)c1
InChIInChI=1S/C21H20N4O3S/c22-19(26)15-7-4-8-16(13-15)24-9-11-25(12-10-24)20(27)18-17(23-21(28)29-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,22,26)(H,23,28)
InChIKeyQXGYJWXBMJDQGZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.16
Rot. Bonds4

About 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide

3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide (PubChem CID 11269806) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide
PubChem CID11269806
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCN(C(=O)c3sc(=O)[nH]c3-c3ccccc3)CC2)c1
InChIInChI=1S/C21H20N4O3S/c22-19(26)15-7-4-8-16(13-15)24-9-11-25(12-10-24)20(27)18-17(23-21(28)29-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,22,26)(H,23,28)
InChIKeyQXGYJWXBMJDQGZ-UHFFFAOYSA-N
XLogP2.16
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide
CID 11749162
3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide
CID 11200069
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891398
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
3-[4-(5-pyridin-3-ylthiophene-2-carbonyl)piperazin-1-yl]benzenecarboximidamide
CID 10222064
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867
5-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329835
3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide
CID 126697071

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide (CID 11269806) is 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide is NC(=O)c1cccc(N2CCN(C(=O)c3sc(=O)[nH]c3-c3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is QXGYJWXBMJDQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c22-19(26)15-7-4-8-16(13-15)24-9-11-25(12-10-24)20(27)18-17(23-21(28)29-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,22,26)(H,23,28).
What are the key properties of 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide?
3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 11269806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).