(4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone

C13H21N3O3S2 — CID 50966452

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cs1
InChIInChI=1S/C13H21N3O3S2/c1-3-5-12-14-11(10-20-12)13(17)15-6-8-16(9-7-15)21(18,19)4-2/h10H,3-9H2,1-2H3
InChIKeyZIZXWVXYSKDLOG-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.20
Rot. Bonds5

About (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone

(4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 50966452) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID50966452
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cs1
InChIInChI=1S/C13H21N3O3S2/c1-3-5-12-14-11(10-20-12)13(17)15-6-8-16(9-7-15)21(18,19)4-2/h10H,3-9H2,1-2H3
InChIKeyZIZXWVXYSKDLOG-UHFFFAOYSA-N
XLogP1.20
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone (CID 50966452) is (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cs1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZIZXWVXYSKDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-3-5-12-14-11(10-20-12)13(17)15-6-8-16(9-7-15)21(18,19)4-2/h10H,3-9H2,1-2H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 50966452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).