1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C12H16N6OS — CID 31121448

IUPAC1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N6OS/c19-11(1-3-18-10-13-9-15-18)16-4-6-17(7-5-16)12-14-2-8-20-12/h2,8-10H,1,3-7H2
InChIKeyADXJRZKBYXDCTR-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.47
Rot. Bonds4

About 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 31121448) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID31121448
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N6OS/c19-11(1-3-18-10-13-9-15-18)16-4-6-17(7-5-16)12-14-2-8-20-12/h2,8-10H,1,3-7H2
InChIKeyADXJRZKBYXDCTR-UHFFFAOYSA-N
XLogP0.47
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one 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-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 37845262
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
3-Methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 56817495
3-Methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 56820105
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71892955
2-(1,3-thiazol-2-yl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 72134089
N-[1-(1,3-thiazol-2-yl)propyl]-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 91783783
N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609974
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 128974146
2-[5-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 17019200
2-[(4-Propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 35751465
N-1,3-thiazol-2-yl-3-{4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazin-1-yl}propanamide
CID 50978991

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 31121448) is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(CCn1cncn1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is ADXJRZKBYXDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c19-11(1-3-18-10-13-9-15-18)16-4-6-17(7-5-16)12-14-2-8-20-12/h2,8-10H,1,3-7H2.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 292.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 31121448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).