4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide

C15H18N4O2S3 — CID 90601849

IUPAC4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide
SMILESCc1nc2ccc3nc(NS(=O)(=O)N4CCC(C)CC4)sc3c2s1
InChIInChI=1S/C15H18N4O2S3/c1-9-5-7-19(8-6-9)24(20,21)18-15-17-12-4-3-11-13(14(12)23-15)22-10(2)16-11/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyWUTZOFPHXABKLY-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.60
Rot. Bonds3

About 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide

4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 90601849) has the molecular formula C15H18N4O2S3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide
PubChem CID90601849
Molecular FormulaC15H18N4O2S3
Molecular Weight382.54 g/mol
Exact Mass382.06
IUPAC Name4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide
SMILESCc1nc2ccc3nc(NS(=O)(=O)N4CCC(C)CC4)sc3c2s1
InChIInChI=1S/C15H18N4O2S3/c1-9-5-7-19(8-6-9)24(20,21)18-15-17-12-4-3-11-13(14(12)23-15)22-10(2)16-11/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyWUTZOFPHXABKLY-UHFFFAOYSA-N
XLogP3.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide (CID 90601849) is 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide is Cc1nc2ccc3nc(NS(=O)(=O)N4CCC(C)CC4)sc3c2s1.
What is the InChIKey of 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is WUTZOFPHXABKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S3/c1-9-5-7-19(8-6-9)24(20,21)18-15-17-12-4-3-11-13(14(12)23-15)22-10(2)16-11/h3-4,9H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide?
4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 382.54 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 90601849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).