1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide

C17H19N3O3S2 — CID 27277189

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3s2)c1
InChIInChI=1S/C17H19N3O3S2/c1-3-20(4-2)25(22,23)13-9-10-17(21)19(11-13)12-16-18-14-7-5-6-8-15(14)24-16/h5-11H,3-4,12H2,1-2H3
InChIKeyFTWIZKBXNYCHQR-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.54
Rot. Bonds6

About 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 27277189) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID27277189
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3s2)c1
InChIInChI=1S/C17H19N3O3S2/c1-3-20(4-2)25(22,23)13-9-10-17(21)19(11-13)12-16-18-14-7-5-6-8-15(14)24-16/h5-11H,3-4,12H2,1-2H3
InChIKeyFTWIZKBXNYCHQR-UHFFFAOYSA-N
XLogP2.54
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 3582989
N,N-diethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxopyridine-3-sulfonamide
CID 38867518
6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide
CID 8568025
N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
CID 167876025
1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 46511196
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134
2-(1,3-benzothiazol-2-ylmethyl)-6-phenylpyridazin-3-one
CID 47060976
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
N-(1,3-benzothiazol-2-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 9189865
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 27277189) is 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3s2)c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is FTWIZKBXNYCHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-20(4-2)25(22,23)13-9-10-17(21)19(11-13)12-16-18-14-7-5-6-8-15(14)24-16/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 27277189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).