methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate

C9H9N3O2S — CID 605807

IUPACmethyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate
SMILESCOC(=O)Nc1ccc(C)c2nsnc12
InChIInChI=1S/C9H9N3O2S/c1-5-3-4-6(10-9(13)14-2)8-7(5)11-15-12-8/h3-4H,1-2H3,(H,10,13)
InChIKeySPCCIRLKZJJUFG-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.18
Rot. Bonds1

About methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate

methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate (PubChem CID 605807) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate
PubChem CID605807
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Namemethyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate
SMILESCOC(=O)Nc1ccc(C)c2nsnc12
InChIInChI=1S/C9H9N3O2S/c1-5-3-4-6(10-9(13)14-2)8-7(5)11-15-12-8/h3-4H,1-2H3,(H,10,13)
InChIKeySPCCIRLKZJJUFG-UHFFFAOYSA-N
XLogP2.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1132513
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
CID 2929233
Carbamic acid, N-(2,1,3-benzothiadiazol-4-yl)-, ethyl ester
CID 592127
2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 2992692
2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 720799
N-benzo[c]1,2,5-thiadiazol-4-ylmethoxycarboxamide
CID 821517
tert-butyl N-(2,1,3-benzothiadiazol-5-yl)carbamate
CID 125499110
2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1091851
2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 167875738
(2E)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylprop-2-enamide
CID 875659

Frequently Asked Questions

What is the IUPAC name of methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate?
The IUPAC name of methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate (CID 605807) is methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate.
What is the SMILES notation for methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate?
The canonical SMILES for methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate is COC(=O)Nc1ccc(C)c2nsnc12.
What is the InChIKey of methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate?
The InChIKey is SPCCIRLKZJJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-3-4-6(10-9(13)14-2)8-7(5)11-15-12-8/h3-4H,1-2H3,(H,10,13).
What are the key properties of methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate?
methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate has a molecular weight of 223.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-methyl-2,1,3-benzothiadiazol-4-yl)carbamate is sourced from PubChem (CID 605807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).