N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C13H12Cl2N2OS — CID 24628780

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-2-12(18)17-13-16-7-10(19-13)5-8-3-4-9(14)6-11(8)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,18)
InChIKeyNEHQFJPVLOYQQP-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.39
Rot. Bonds4

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 24628780) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID24628780
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-2-12(18)17-13-16-7-10(19-13)5-8-3-4-9(14)6-11(8)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,18)
InChIKeyNEHQFJPVLOYQQP-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 24628804
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 18836170
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24628872
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 86944220
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 24628797
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 24628780) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is NEHQFJPVLOYQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-2-12(18)17-13-16-7-10(19-13)5-8-3-4-9(14)6-11(8)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,18).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 315.23 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24628780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).