2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C12H19N3O2S — CID 63619690

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CN(c2nc(C)c(C(=O)O)s2)CCN1C
InChIInChI=1S/C12H19N3O2S/c1-4-9-7-15(6-5-14(9)3)12-13-8(2)10(18-12)11(16)17/h9H,4-7H2,1-3H3,(H,16,17)
InChIKeyFJENBJAMTYEUKI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63619690) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID63619690
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CN(c2nc(C)c(C(=O)O)s2)CCN1C
InChIInChI=1S/C12H19N3O2S/c1-4-9-7-15(6-5-14(9)3)12-13-8(2)10(18-12)11(16)17/h9H,4-7H2,1-3H3,(H,16,17)
InChIKeyFJENBJAMTYEUKI-UHFFFAOYSA-N
XLogP1.68
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424528
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83221733
2-[[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63635232
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 113305395
[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63619362
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570720
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55215656
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 63619690) is 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCC1CN(c2nc(C)c(C(=O)O)s2)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FJENBJAMTYEUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-9-7-15(6-5-14(9)3)12-13-8(2)10(18-12)11(16)17/h9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 269.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63619690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).