methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate

C8H7N3O2S — CID 821517

IUPACmethyl N-(2,1,3-benzothiadiazol-4-yl)carbamate
SMILESCOC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C8H7N3O2S/c1-13-8(12)9-5-3-2-4-6-7(5)11-14-10-6/h2-4H,1H3,(H,9,12)
InChIKeyIBSPUKHLEQGYSX-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.87
Rot. Bonds1

About methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate

methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate (PubChem CID 821517) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,1,3-benzothiadiazol-4-yl)carbamate
PubChem CID821517
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Namemethyl N-(2,1,3-benzothiadiazol-4-yl)carbamate
SMILESCOC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C8H7N3O2S/c1-13-8(12)9-5-3-2-4-6-7(5)11-14-10-6/h2-4H,1H3,(H,9,12)
InChIKeyIBSPUKHLEQGYSX-UHFFFAOYSA-N
XLogP1.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
Methyl 7-methyl-2,1,3-benzothiadiazol-4-ylcarbamate
CID 605807
N-(2,1,3-benzoselenadiazol-4-yl)acetamide
CID 3089118
N-methyl-2,1,3-benzothiadiazol-4-amine
CID 3783279
2,1,3-Benzothiadiazol-2(S(sup IV))-4-amine, N,N-dimethyl-
CID 3042603
N-(2,1,3-Benzoxadiazol-4-yl)acetamide
CID 585399
9-methyl-6H,8H-1,4-diazepino[3',2'-4,3]benzo[c]1,2,5-thiadiazol-7-one
CID 4598789
N-(2,1,3-benzothiadiazol-4-yl)-2-bromo-2,2-difluoroacetamide
CID 172464222
Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester
CID 592127
N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 305691

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate?
The IUPAC name of methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate (CID 821517) is methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate.
What is the SMILES notation for methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate?
The canonical SMILES for methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate is COC(=O)Nc1cccc2nsnc12.
What is the InChIKey of methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate?
The InChIKey is IBSPUKHLEQGYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-13-8(12)9-5-3-2-4-6-7(5)11-14-10-6/h2-4H,1H3,(H,9,12).
What are the key properties of methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate?
methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate has a molecular weight of 209.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,1,3-benzothiadiazol-4-yl)carbamate is sourced from PubChem (CID 821517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).