N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide

C13H12Cl2N2OS — CID 177178454

IUPACN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(2)12(18)16-11-6-19-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,16,18)
InChIKeyIRRXUZPKZMORSE-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.71
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide

N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide (PubChem CID 177178454) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
PubChem CID177178454
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(2)12(18)16-11-6-19-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,16,18)
InChIKeyIRRXUZPKZMORSE-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide (CID 177178454) is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1csc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide?
The InChIKey is IRRXUZPKZMORSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7(2)12(18)16-11-6-19-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide?
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide has a molecular weight of 315.23 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 177178454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).