5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid

C12H14N4O2S2 — CID 115423373

IUPAC5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N2CCN(c3nccs3)CC2)nc1C(=O)O
InChIInChI=1S/C12H14N4O2S2/c1-8-9(10(17)18)14-12(20-8)16-5-3-15(4-6-16)11-13-2-7-19-11/h2,7H,3-6H2,1H3,(H,17,18)
InChIKeyWTXXNEHLNRGVIZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.93
Rot. Bonds3

About 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 115423373) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID115423373
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N2CCN(c3nccs3)CC2)nc1C(=O)O
InChIInChI=1S/C12H14N4O2S2/c1-8-9(10(17)18)14-12(20-8)16-5-3-15(4-6-16)11-13-2-7-19-11/h2,7H,3-6H2,1H3,(H,17,18)
InChIKeyWTXXNEHLNRGVIZ-UHFFFAOYSA-N
XLogP1.93
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde
CID 60658709
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 66456547
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30778210
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
CID 83042107

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid (CID 115423373) is 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid is Cc1sc(N2CCN(c3nccs3)CC2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WTXXNEHLNRGVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-8-9(10(17)18)14-12(20-8)16-5-3-15(4-6-16)11-13-2-7-19-11/h2,7H,3-6H2,1H3,(H,17,18).
What are the key properties of 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).