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

C17H15Cl2N3O2S — CID 24628804

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C17H15Cl2N3O2S/c1-9-14(10(2)24-22-9)7-16(23)21-17-20-8-13(25-17)5-11-3-4-12(18)6-15(11)19/h3-4,6,8H,5,7H2,1-2H3,(H,20,21,23)
InChIKeyWOWBRGDNRGPECN-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.83
Rot. Bonds5

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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 24628804) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID24628804
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C17H15Cl2N3O2S/c1-9-14(10(2)24-22-9)7-16(23)21-17-20-8-13(25-17)5-11-3-4-12(18)6-15(11)19/h3-4,6,8H,5,7H2,1-2H3,(H,20,21,23)
InChIKeyWOWBRGDNRGPECN-UHFFFAOYSA-N
XLogP4.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 17408346
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9118132
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 18836170
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-(5-benzyl-1,3-thiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 17459661
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 24628804) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is WOWBRGDNRGPECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-9-14(10(2)24-22-9)7-16(23)21-17-20-8-13(25-17)5-11-3-4-12(18)6-15(11)19/h3-4,6,8H,5,7H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 396.30 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 24628804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).