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

C13H16N4OS2 — CID 47426923

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C13H16N4OS2/c1-2-11-15-9-10(20-11)12(18)16-4-6-17(7-5-16)13-14-3-8-19-13/h3,8-9H,2,4-7H2,1H3
InChIKeyZNZAQXYJACMCCA-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.12
Rot. Bonds3

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

(2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 47426923) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID47426923
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C13H16N4OS2/c1-2-11-15-9-10(20-11)12(18)16-4-6-17(7-5-16)13-14-3-8-19-13/h3,8-9H,2,4-7H2,1H3
InChIKeyZNZAQXYJACMCCA-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 47426923) is (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCc1ncc(C(=O)N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ZNZAQXYJACMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-2-11-15-9-10(20-11)12(18)16-4-6-17(7-5-16)13-14-3-8-19-13/h3,8-9H,2,4-7H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 47426923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).