N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide

C13H12Cl2N2OS — CID 110332846

IUPACN-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H12Cl2N2OS/c1-8-16-10(7-19-8)3-5-13(18)17-12-4-2-9(14)6-11(12)15/h2,4,6-7H,3,5H2,1H3,(H,17,18)
InChIKeyIPYHEPNYIPJTBH-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.33
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide

N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 110332846) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID110332846
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC NameN-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H12Cl2N2OS/c1-8-16-10(7-19-8)3-5-13(18)17-12-4-2-9(14)6-11(12)15/h2,4,6-7H,3,5H2,1H3,(H,17,18)
InChIKeyIPYHEPNYIPJTBH-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679355
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
CID 110450895
N-(2-ethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332800
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 65317065
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-[4-(1-adamantyl)-2-chlorophenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112833785
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 110332846) is N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is Cc1nc(CCC(=O)Nc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is IPYHEPNYIPJTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-8-16-10(7-19-8)3-5-13(18)17-12-4-2-9(14)6-11(12)15/h2,4,6-7H,3,5H2,1H3,(H,17,18).
What are the key properties of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 315.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110332846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).