1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone

C14H23N5O3S2 — CID 136534343

IUPAC1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)Cc3cncs3)CC2)CC1
InChIInChI=1S/C14H23N5O3S2/c1-16-2-6-18(7-3-16)24(21,22)19-8-4-17(5-9-19)14(20)10-13-11-15-12-23-13/h11-12H,2-10H2,1H3
InChIKeyWBVRMIPILRQPJS-UHFFFAOYSA-N
MW373.50 g/mol
LogP-0.68
Rot. Bonds4

About 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone

1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 136534343) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
PubChem CID136534343
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC Name1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)Cc3cncs3)CC2)CC1
InChIInChI=1S/C14H23N5O3S2/c1-16-2-6-18(7-3-16)24(21,22)19-8-4-17(5-9-19)14(20)10-13-11-15-12-23-13/h11-12H,2-10H2,1H3
InChIKeyWBVRMIPILRQPJS-UHFFFAOYSA-N
XLogP-0.68
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone (CID 136534343) is 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone is CN1CCN(S(=O)(=O)N2CCN(C(=O)Cc3cncs3)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is WBVRMIPILRQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c1-16-2-6-18(7-3-16)24(21,22)19-8-4-17(5-9-19)14(20)10-13-11-15-12-23-13/h11-12H,2-10H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 373.50 g/mol, XLogP of -0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 136534343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).