(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C14H17N3OS2 — CID 120569866

IUPAC(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1NCCN(C(=O)c2csc(-c3cccs3)n2)C1C
InChIInChI=1S/C14H17N3OS2/c1-9-10(2)17(6-5-15-9)14(18)11-8-20-13(16-11)12-4-3-7-19-12/h3-4,7-10,15H,5-6H2,1-2H3
InChIKeyAEVHSXDQUVMXFS-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.69
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 120569866) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID120569866
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1NCCN(C(=O)c2csc(-c3cccs3)n2)C1C
InChIInChI=1S/C14H17N3OS2/c1-9-10(2)17(6-5-15-9)14(18)11-8-20-13(16-11)12-4-3-7-19-12/h3-4,7-10,15H,5-6H2,1-2H3
InChIKeyAEVHSXDQUVMXFS-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116190
[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570853
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570547
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120570866
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 79029130
[2-(hydroxymethyl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 61409006
4-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720117
2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371467
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 81208179
[(2S)-4-benzyl-2-methylpiperazin-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 7194746
(2R,4R)-4-hydroxy-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000253
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 120569866) is (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is CC1NCCN(C(=O)c2csc(-c3cccs3)n2)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is AEVHSXDQUVMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-10(2)17(6-5-15-9)14(18)11-8-20-13(16-11)12-4-3-7-19-12/h3-4,7-10,15H,5-6H2,1-2H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 307.44 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 120569866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).