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

C12H10Cl2N2OS — CID 729494

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)4-8-2-3-9(13)5-11(8)14/h2-3,5-6H,4H2,1H3,(H,15,16,17)
InChIKeyZRURCULELYTRNR-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.00
Rot. Bonds3

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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 729494) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID729494
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)4-8-2-3-9(13)5-11(8)14/h2-3,5-6H,4H2,1H3,(H,15,16,17)
InChIKeyZRURCULELYTRNR-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-Cmtb
CID 46226252
(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 46226294
3-[5-[(2-Chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
CID 3157014
5-[(4-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 701041
5-[(3-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 795027
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
2-(2-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673027
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144
3-(5-(3-Chlorobenzyl)thiazol-2-yl)-2-iminothiazolidin-4-one
CID 3157015
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 22315145
N-(5-Ethylthiazol-2-yl)-2-phenylacetamide
CID 44396065
1-[5-(4-Chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907728

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 729494) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZRURCULELYTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)4-8-2-3-9(13)5-11(8)14/h2-3,5-6H,4H2,1H3,(H,15,16,17).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 301.20 g/mol, XLogP of 4.00, 3 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]acetamide is sourced from PubChem (CID 729494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).