1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone

C12H14N4OS2 — CID 62757440

IUPAC1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C12H14N4OS2/c1-9(17)10-8-14-12(19-10)16-5-3-15(4-6-16)11-13-2-7-18-11/h2,7-8H,3-6H2,1H3
InChIKeyAYSJEOQVUXSTKR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone

1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone (PubChem CID 62757440) has the molecular formula C12H14N4OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
PubChem CID62757440
Molecular FormulaC12H14N4OS2
Molecular Weight294.40 g/mol
Exact Mass294.06
IUPAC Name1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C12H14N4OS2/c1-9(17)10-8-14-12(19-10)16-5-3-15(4-6-16)11-13-2-7-18-11/h2,7-8H,3-6H2,1H3
InChIKeyAYSJEOQVUXSTKR-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
CID 62757260
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757449
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 115423373
1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone
CID 82956334
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone (CID 62757440) is 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is AYSJEOQVUXSTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-9(17)10-8-14-12(19-10)16-5-3-15(4-6-16)11-13-2-7-18-11/h2,7-8H,3-6H2,1H3.
What are the key properties of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62757440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).