N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide

C11H20N4O2S2 — CID 55170339

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
SMILESCc1ncsc1CNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H20N4O2S2/c1-10-11(18-9-13-10)8-14-19(16,17)7-6-15-4-2-12-3-5-15/h9,12,14H,2-8H2,1H3
InChIKeyBUXHOYYIEZDGOW-UHFFFAOYSA-N
MW304.44 g/mol
LogP-0.22
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide (PubChem CID 55170339) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
PubChem CID55170339
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
SMILESCc1ncsc1CNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H20N4O2S2/c1-10-11(18-9-13-10)8-14-19(16,17)7-6-15-4-2-12-3-5-15/h9,12,14H,2-8H2,1H3
InChIKeyBUXHOYYIEZDGOW-UHFFFAOYSA-N
XLogP-0.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoylmethyl]benzoic acid
CID 63280975
anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 19893371
5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 63283991
N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 63790846
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
CID 154789685

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide (CID 55170339) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide is Cc1ncsc1CNS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
The InChIKey is BUXHOYYIEZDGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-10-11(18-9-13-10)8-14-19(16,17)7-6-15-4-2-12-3-5-15/h9,12,14H,2-8H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 55170339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).