N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide

C15H22N4O3S2 — CID 36956955

IUPACN,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide
SMILESCc1ccc(-c2nc(CN3CCN(S(=O)(=O)N(C)C)CC3)cs2)o1
InChIInChI=1S/C15H22N4O3S2/c1-12-4-5-14(22-12)15-16-13(11-23-15)10-18-6-8-19(9-7-18)24(20,21)17(2)3/h4-5,11H,6-10H2,1-3H3
InChIKeyXJIUAGRRKFFOGD-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.64
Rot. Bonds5

About N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide (PubChem CID 36956955) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide
PubChem CID36956955
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC NameN,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide
SMILESCc1ccc(-c2nc(CN3CCN(S(=O)(=O)N(C)C)CC3)cs2)o1
InChIInChI=1S/C15H22N4O3S2/c1-12-4-5-14(22-12)15-16-13(11-23-15)10-18-6-8-19(9-7-18)24(20,21)17(2)3/h4-5,11H,6-10H2,1-3H3
InChIKeyXJIUAGRRKFFOGD-UHFFFAOYSA-N
XLogP1.64
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide (CID 36956955) is N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide is Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)N(C)C)CC3)cs2)o1.
What is the InChIKey of N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide?
The InChIKey is XJIUAGRRKFFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-12-4-5-14(22-12)15-16-13(11-23-15)10-18-6-8-19(9-7-18)24(20,21)17(2)3/h4-5,11H,6-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide has a molecular weight of 370.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 36956955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).