2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

C9H6F3N3OS — CID 1091851

IUPAC2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6F3N3OS/c1-4-2-3-5-7(15-17-14-5)6(4)13-8(16)9(10,11)12/h2-3H,1H3,(H,13,16)
InChIKeyFAPHVDQDIAGCQH-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.50
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 1091851) has the molecular formula C9H6F3N3OS and a molecular weight of 261.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID1091851
Molecular FormulaC9H6F3N3OS
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6F3N3OS/c1-4-2-3-5-7(15-17-14-5)6(4)13-8(16)9(10,11)12/h2-3H,1H3,(H,13,16)
InChIKeyFAPHVDQDIAGCQH-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1132513
Methyl 7-methyl-2,1,3-benzothiadiazol-4-ylcarbamate
CID 605807
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
N-(2,1,3-benzothiadiazol-4-yl)-2-bromo-2,2-difluoroacetamide
CID 172464222
N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 305691
N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide
CID 752851
N-{2-[3-(trifluoromethyl)phenyl]-2H-benzotriazol-5-yl}acetamide
CID 779044

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 1091851) is 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is Cc1ccc2nsnc2c1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is FAPHVDQDIAGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS/c1-4-2-3-5-7(15-17-14-5)6(4)13-8(16)9(10,11)12/h2-3H,1H3,(H,13,16).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 261.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 1091851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).