[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

C21H30N4OS — CID 110354468

IUPAC[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2cccc(C(=O)N3CC(C)N(CCN(C)C)C(C)C3)c2)n1
InChIInChI=1S/C21H30N4OS/c1-15-14-27-20(22-15)18-7-6-8-19(11-18)21(26)24-12-16(2)25(17(3)13-24)10-9-23(4)5/h6-8,11,14,16-17H,9-10,12-13H2,1-5H3
InChIKeyOHIFFYZSKFOXAJ-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.21
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 110354468) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
PubChem CID110354468
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2cccc(C(=O)N3CC(C)N(CCN(C)C)C(C)C3)c2)n1
InChIInChI=1S/C21H30N4OS/c1-15-14-27-20(22-15)18-7-6-8-19(11-18)21(26)24-12-16(2)25(17(3)13-24)10-9-23(4)5/h6-8,11,14,16-17H,9-10,12-13H2,1-5H3
InChIKeyOHIFFYZSKFOXAJ-UHFFFAOYSA-N
XLogP3.21
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110290516
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119467477
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 110628874
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119594242
(3,4-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290343
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone;dihydrochloride
CID 119649898
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 110355797
N,N-bis(2-cyanoethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 166211949
2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propylamino]acetic acid
CID 86779617

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (CID 110354468) is [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is Cc1csc(-c2cccc(C(=O)N3CC(C)N(CCN(C)C)C(C)C3)c2)n1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is OHIFFYZSKFOXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-15-14-27-20(22-15)18-7-6-8-19(11-18)21(26)24-12-16(2)25(17(3)13-24)10-9-23(4)5/h6-8,11,14,16-17H,9-10,12-13H2,1-5H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 386.57 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 110354468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).