2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine

C10H14N4O3S2 — CID 114804545

IUPAC2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine
SMILESCCNS(=O)(=O)Nc1nc2c(OC)cc(N)cc2s1
InChIInChI=1S/C10H14N4O3S2/c1-3-12-19(15,16)14-10-13-9-7(17-2)4-6(11)5-8(9)18-10/h4-5,12H,3,11H2,1-2H3,(H,13,14)
InChIKeyNIRSBGPIKKDDKP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.15
Rot. Bonds5

About 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine

2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine (PubChem CID 114804545) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine
PubChem CID114804545
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine
SMILESCCNS(=O)(=O)Nc1nc2c(OC)cc(N)cc2s1
InChIInChI=1S/C10H14N4O3S2/c1-3-12-19(15,16)14-10-13-9-7(17-2)4-6(11)5-8(9)18-10/h4-5,12H,3,11H2,1-2H3,(H,13,14)
InChIKeyNIRSBGPIKKDDKP-UHFFFAOYSA-N
XLogP1.15
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-N-(2-methylpropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114814113
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
CID 60860065
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949179
methyl 4-[(6-amino-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 1160312
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
CID 104669149
2-N-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-methoxy-1,3-benzothiazole-2,6-diamine
CID 50878811
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 114806422
2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-methoxy-1,3-benzothiazole-2,6-diamine
CID 50878851

Frequently Asked Questions

What is the IUPAC name of 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine (CID 114804545) is 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine is CCNS(=O)(=O)Nc1nc2c(OC)cc(N)cc2s1.
What is the InChIKey of 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine?
The InChIKey is NIRSBGPIKKDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-3-12-19(15,16)14-10-13-9-7(17-2)4-6(11)5-8(9)18-10/h4-5,12H,3,11H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine?
2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine has a molecular weight of 302.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 114804545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).