1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone

C20H23N3O3S — CID 126770186

IUPAC1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)CCO4)s2)C(C)(C)C1
InChIInChI=1S/C20H23N3O3S/c1-13(24)22-7-8-23(20(2,3)12-22)19(25)17-11-21-18(27-17)15-4-5-16-14(10-15)6-9-26-16/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyUBRHBAYGHTYAPI-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.83
Rot. Bonds2

About 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone

1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone (PubChem CID 126770186) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone
PubChem CID126770186
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)CCO4)s2)C(C)(C)C1
InChIInChI=1S/C20H23N3O3S/c1-13(24)22-7-8-23(20(2,3)12-22)19(25)17-11-21-18(27-17)15-4-5-16-14(10-15)6-9-26-16/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyUBRHBAYGHTYAPI-UHFFFAOYSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
CID 143027008
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 86991467
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653372
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 95277481
methyl 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]sulfamoylmethyl]benzoate
CID 166331691
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79997151
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 71847415
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone (CID 126770186) is 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)CCO4)s2)C(C)(C)C1.
What is the InChIKey of 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone?
The InChIKey is UBRHBAYGHTYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(24)22-7-8-23(20(2,3)12-22)19(25)17-11-21-18(27-17)15-4-5-16-14(10-15)6-9-26-16/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone?
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone has a molecular weight of 385.49 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 126770186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).