N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide

C10H10ClN3OS — CID 17335846

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN3OS/c1-5(2)10(15)12-8-6(11)3-4-7-9(8)14-16-13-7/h3-5H,1-2H3,(H,12,15)
InChIKeyUUWDXJIMUPPERU-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.94
Rot. Bonds2

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide (PubChem CID 17335846) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
PubChem CID17335846
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN3OS/c1-5(2)10(15)12-8-6(11)3-4-7-9(8)14-16-13-7/h3-5H,1-2H3,(H,12,15)
InChIKeyUUWDXJIMUPPERU-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
CID 3163998
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
(E)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17313300
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)sulfamoyl]propanoic acid
CID 65475058
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide
CID 65473951
dimethyl (E)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]but-2-enedioate
CID 168569373
(2R)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]pentanoic acid
CID 107567148

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide (CID 17335846) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The InChIKey is UUWDXJIMUPPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-5(2)10(15)12-8-6(11)3-4-7-9(8)14-16-13-7/h3-5H,1-2H3,(H,12,15).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide has a molecular weight of 255.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 17335846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).