N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide

C11H20N4O2S2 — CID 86914969

IUPACN,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H20N4O2S2/c1-3-14(4-2)19(16,17)15-8-6-13(7-9-15)11-12-5-10-18-11/h5,10H,3-4,6-9H2,1-2H3
InChIKeyBEOVEKFBSBYKKL-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.85
Rot. Bonds5

About N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide

N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide (PubChem CID 86914969) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
PubChem CID86914969
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC NameN,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H20N4O2S2/c1-3-14(4-2)19(16,17)15-8-6-13(7-9-15)11-12-5-10-18-11/h5,10H,3-4,6-9H2,1-2H3
InChIKeyBEOVEKFBSBYKKL-UHFFFAOYSA-N
XLogP0.85
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine
CID 54944607
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 25476221
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[ethyl-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetic acid
CID 61185320
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 60724620
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide (CID 86914969) is N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide?
The InChIKey is BEOVEKFBSBYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-3-14(4-2)19(16,17)15-8-6-13(7-9-15)11-12-5-10-18-11/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide?
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 86914969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).