N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide

C16H15N3O3S2 — CID 7599897

IUPACN'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
SMILESCc1cccc2sc(NNC(=O)c3cccc(S(C)(=O)=O)c3)nc12
InChIInChI=1S/C16H15N3O3S2/c1-10-5-3-8-13-14(10)17-16(23-13)19-18-15(20)11-6-4-7-12(9-11)24(2,21)22/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyUFVPTBLARBWGKH-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.77
Rot. Bonds4

About N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide

N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide (PubChem CID 7599897) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
PubChem CID7599897
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
SMILESCc1cccc2sc(NNC(=O)c3cccc(S(C)(=O)=O)c3)nc12
InChIInChI=1S/C16H15N3O3S2/c1-10-5-3-8-13-14(10)17-16(23-13)19-18-15(20)11-6-4-7-12(9-11)24(2,21)22/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyUFVPTBLARBWGKH-UHFFFAOYSA-N
XLogP2.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.77
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-bromo-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 43953368
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599932
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953090
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 40785257
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 7599888
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N'-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22534334
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide (CID 7599897) is N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide is Cc1cccc2sc(NNC(=O)c3cccc(S(C)(=O)=O)c3)nc12.
What is the InChIKey of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
The InChIKey is UFVPTBLARBWGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-10-5-3-8-13-14(10)17-16(23-13)19-18-15(20)11-6-4-7-12(9-11)24(2,21)22/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide?
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide has a molecular weight of 361.45 g/mol, XLogP of 2.77, 4 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-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide is sourced from PubChem (CID 7599897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).