N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide

C23H28N4O3S2 — CID 16825115

IUPACN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1
InChIInChI=1S/C23H28N4O3S2/c1-4-18-7-5-6-12-27(18)32(29,30)19-10-8-17(9-11-19)22(28)25-26-23-24-20-14-15(2)13-16(3)21(20)31-23/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyILPPDVGJEWKSGR-UHFFFAOYSA-N
MW472.64 g/mol
LogP4.62
Rot. Bonds6

About N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide

N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide (PubChem CID 16825115) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide
PubChem CID16825115
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1
InChIInChI=1S/C23H28N4O3S2/c1-4-18-7-5-6-12-27(18)32(29,30)19-10-8-17(9-11-19)22(28)25-26-23-24-20-14-15(2)13-16(3)21(20)31-23/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyILPPDVGJEWKSGR-UHFFFAOYSA-N
XLogP4.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043781
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N'-(4-chloro-1,3-benzothiazol-2-yl)-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043733
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4616707
4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 41043715
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129
4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 18553500
4-(azepan-1-ylsulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4073267
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4616708
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16825438
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850523
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4180781

Frequently Asked Questions

What is the IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide (CID 16825115) is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1.
What is the InChIKey of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide?
The InChIKey is ILPPDVGJEWKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-4-18-7-5-6-12-27(18)32(29,30)19-10-8-17(9-11-19)22(28)25-26-23-24-20-14-15(2)13-16(3)21(20)31-23/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide?
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide has a molecular weight of 472.64 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 16825115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).