3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one

C20H26N4O2S — CID 110617904

IUPAC3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H26N4O2S/c1-22(2)9-8-18(25)23-10-12-24(13-11-23)19(26)14-17-15-27-20(21-17)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyNYNKJQGRKASGSP-UHFFFAOYSA-N
MW386.52 g/mol
LogP1.98
Rot. Bonds6

About 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one

3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 110617904) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID110617904
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H26N4O2S/c1-22(2)9-8-18(25)23-10-12-24(13-11-23)19(26)14-17-15-27-20(21-17)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyNYNKJQGRKASGSP-UHFFFAOYSA-N
XLogP1.98
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 155494152
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
2-methyl-1-[4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 55564528
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one (CID 110617904) is 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one is CN(C)CCC(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is NYNKJQGRKASGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-22(2)9-8-18(25)23-10-12-24(13-11-23)19(26)14-17-15-27-20(21-17)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 386.52 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110617904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).