N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C15H18N4O3S2 — CID 36818842

IUPACN-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H18N4O3S2/c1-24(21,22)17-13-4-2-3-12(11-13)14(20)18-6-8-19(9-7-18)15-16-5-10-23-15/h2-5,10-11,17H,6-9H2,1H3
InChIKeyAFEFFSGIMKHECH-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.48
Rot. Bonds4

About N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 36818842) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID36818842
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H18N4O3S2/c1-24(21,22)17-13-4-2-3-12(11-13)14(20)18-6-8-19(9-7-18)15-16-5-10-23-15/h2-5,10-11,17H,6-9H2,1H3
InChIKeyAFEFFSGIMKHECH-UHFFFAOYSA-N
XLogP1.48
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55646310
(2-anilinopyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 72914559
[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 70744403
N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 173143971
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
4-acetyl-N-[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 43040246
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
N-[4-[4-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108753551
3-(3-acetylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one
CID 11493816
N-[[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 18138954
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43040249
N-[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 36748465

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 36818842) is N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3nccs3)CC2)c1.
What is the InChIKey of N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is AFEFFSGIMKHECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-24(21,22)17-13-4-2-3-12(11-13)14(20)18-6-8-19(9-7-18)15-16-5-10-23-15/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 366.47 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 36818842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).