4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide

C23H24N4O2S — CID 86969128

IUPAC4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide
SMILESCc1nc(-c2ccc(CC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)cs1
InChIInChI=1S/C23H24N4O2S/c1-16-25-21(15-30-16)18-4-2-17(3-5-18)14-22(28)27-12-10-26(11-13-27)20-8-6-19(7-9-20)23(24)29/h2-9,15H,10-14H2,1H3,(H2,24,29)
InChIKeyGIJHAXFFJDVUKP-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.11
Rot. Bonds5

About 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide

4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide (PubChem CID 86969128) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide
PubChem CID86969128
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide
SMILESCc1nc(-c2ccc(CC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)cs1
InChIInChI=1S/C23H24N4O2S/c1-16-25-21(15-30-16)18-4-2-17(3-5-18)14-22(28)27-12-10-26(11-13-27)20-8-6-19(7-9-20)23(24)29/h2-9,15H,10-14H2,1H3,(H2,24,29)
InChIKeyGIJHAXFFJDVUKP-UHFFFAOYSA-N
XLogP3.11
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 55605438
1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 78859314
4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide
CID 86969118
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
1-(4-ethylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]ethanone
CID 110300182
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 55608126
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
CID 70711272

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide (CID 86969128) is 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide is Cc1nc(-c2ccc(CC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)cs1.
What is the InChIKey of 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide?
The InChIKey is GIJHAXFFJDVUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-25-21(15-30-16)18-4-2-17(3-5-18)14-22(28)27-12-10-26(11-13-27)20-8-6-19(7-9-20)23(24)29/h2-9,15H,10-14H2,1H3,(H2,24,29).
What are the key properties of 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide?
4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide has a molecular weight of 420.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).