4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole

C14H16N6S2 — CID 71924686

IUPAC4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCn1cc(-c2csc(N3CCN(c4nccs4)CC3)n2)cn1
InChIInChI=1S/C14H16N6S2/c1-18-9-11(8-16-18)12-10-22-14(17-12)20-5-3-19(4-6-20)13-15-2-7-21-13/h2,7-10H,3-6H2,1H3
InChIKeyAAXBXNCNNRUWSE-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.33
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole

4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 71924686) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID71924686
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCn1cc(-c2csc(N3CCN(c4nccs4)CC3)n2)cn1
InChIInChI=1S/C14H16N6S2/c1-18-9-11(8-16-18)12-10-22-14(17-12)20-5-3-19(4-6-20)13-15-2-7-21-13/h2,7-10H,3-6H2,1H3
InChIKeyAAXBXNCNNRUWSE-UHFFFAOYSA-N
XLogP2.33
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole (CID 71924686) is 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole is Cn1cc(-c2csc(N3CCN(c4nccs4)CC3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is AAXBXNCNNRUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S2/c1-18-9-11(8-16-18)12-10-22-14(17-12)20-5-3-19(4-6-20)13-15-2-7-21-13/h2,7-10H,3-6H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 332.46 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 71924686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).