4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H20N4O3S2 — CID 60984797

IUPAC4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C11H20N4O3S2/c1-9-10(19-11(16)13-9)20(17,18)12-3-4-15-7-5-14(2)6-8-15/h12H,3-8H2,1-2H3,(H,13,16)
InChIKeyVRNFDOHHQZVCIF-UHFFFAOYSA-N
MW320.44 g/mol
LogP-0.73
Rot. Bonds5

About 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60984797) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60984797
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC Name4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C11H20N4O3S2/c1-9-10(19-11(16)13-9)20(17,18)12-3-4-15-7-5-14(2)6-8-15/h12H,3-8H2,1-2H3,(H,13,16)
InChIKeyVRNFDOHHQZVCIF-UHFFFAOYSA-N
XLogP-0.73
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60984797) is 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is VRNFDOHHQZVCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-9-10(19-11(16)13-9)20(17,18)12-3-4-15-7-5-14(2)6-8-15/h12H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60984797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).