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

C13H16N4OS2 — CID 56818933

IUPAC3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H16N4OS2/c18-12(2-1-11-14-3-9-19-11)16-5-7-17(8-6-16)13-15-4-10-20-13/h3-4,9-10H,1-2,5-8H2
InChIKeyCQCWNRUKSRZZLG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.88
Rot. Bonds4

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

3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 56818933) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID56818933
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H16N4OS2/c18-12(2-1-11-14-3-9-19-11)16-5-7-17(8-6-16)13-15-4-10-20-13/h3-4,9-10H,1-2,5-8H2
InChIKeyCQCWNRUKSRZZLG-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 56818933) is 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is O=C(CCc1nccs1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is CQCWNRUKSRZZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c18-12(2-1-11-14-3-9-19-11)16-5-7-17(8-6-16)13-15-4-10-20-13/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56818933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).