N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide

C12H11Cl2N3OS — CID 15023188

IUPACN-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nsnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3OS/c1-6(2)12(18)15-11-10(16-19-17-11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H,15,17,18)
InChIKeyIGGSFYOWIYGWLK-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.11
Rot. Bonds3

About N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide

N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide (PubChem CID 15023188) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide
PubChem CID15023188
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC NameN-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nsnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3OS/c1-6(2)12(18)15-11-10(16-19-17-11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H,15,17,18)
InChIKeyIGGSFYOWIYGWLK-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide (CID 15023188) is N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nsnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide?
The InChIKey is IGGSFYOWIYGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-6(2)12(18)15-11-10(16-19-17-11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H,15,17,18).
What are the key properties of N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide?
N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide has a molecular weight of 316.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 15023188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).