(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide

C9H9N2O3S2- — CID 5049707

IUPAC(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide
SMILESCOc1ccc2nc([N-]S(C)(=O)=O)sc2c1
InChIInChI=1S/C9H9N2O3S2/c1-14-6-3-4-7-8(5-6)15-9(10-7)11-16(2,12)13/h3-5H,1-2H3/q-1
InChIKeyFRKACGYNCVRAOO-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.27
Rot. Bonds3

About (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide

(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide (PubChem CID 5049707) has the molecular formula C9H9N2O3S2- and a molecular weight of 257.32 g/mol. Its IUPAC name is (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide.

Molecular Properties

Compound Name(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide
PubChem CID5049707
Molecular FormulaC9H9N2O3S2-
Molecular Weight257.32 g/mol
Exact Mass257.01
IUPAC Name(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide
SMILESCOc1ccc2nc([N-]S(C)(=O)=O)sc2c1
InChIInChI=1S/C9H9N2O3S2/c1-14-6-3-4-7-8(5-6)15-9(10-7)11-16(2,12)13/h3-5H,1-2H3/q-1
InChIKeyFRKACGYNCVRAOO-UHFFFAOYSA-N
XLogP2.27
TPSA70.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
2-(6-methoxy-1,3-benzothiazol-2-yl)-3,3-bis(methylsulfonyl)prop-2-enenitrile
CID 87142557
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
CID 158604119
CID 158604119
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
2-chloro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392689
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxopropanoate
CID 22059303
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
CID 175512314

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide?
The IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide (CID 5049707) is (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide.
What is the SMILES notation for (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide?
The canonical SMILES for (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide is COc1ccc2nc([N-]S(C)(=O)=O)sc2c1.
What is the InChIKey of (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide?
The InChIKey is FRKACGYNCVRAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O3S2/c1-14-6-3-4-7-8(5-6)15-9(10-7)11-16(2,12)13/h3-5H,1-2H3/q-1.
What are the key properties of (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide?
(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide has a molecular weight of 257.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide is sourced from PubChem (CID 5049707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).