[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C23H32N4O3S — CID 20943263

IUPAC[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C23H32N4O3S/c1-4-20-21(18-7-5-17(2)6-8-18)31(29,30)24-22(20)26-11-9-19(10-12-26)23(28)27-15-13-25(3)14-16-27/h5-8,19H,4,9-16H2,1-3H3
InChIKeyIXZYHUUHHHOZGS-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.34
Rot. Bonds3

About [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 20943263) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID20943263
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C23H32N4O3S/c1-4-20-21(18-7-5-17(2)6-8-18)31(29,30)24-22(20)26-11-9-19(10-12-26)23(28)27-15-13-25(3)14-16-27/h5-8,19H,4,9-16H2,1-3H3
InChIKeyIXZYHUUHHHOZGS-UHFFFAOYSA-N
XLogP2.34
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20887471
N-[3-(diethylamino)propyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943229
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 20887477
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20943232
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20887485
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20943242
N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20887497
[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20943094
1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46338220
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 86976049
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973

Frequently Asked Questions

What is the IUPAC name of [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 20943263) is [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IXZYHUUHHHOZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-4-20-21(18-7-5-17(2)6-8-18)31(29,30)24-22(20)26-11-9-19(10-12-26)23(28)27-15-13-25(3)14-16-27/h5-8,19H,4,9-16H2,1-3H3.
What are the key properties of [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 444.60 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 20943263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).