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

C12H10Cl2N2OS — CID 685884

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)5-8-4-9(13)2-3-11(8)14/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyUDXIXURLORNTCF-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.00
Rot. Bonds3

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

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 685884) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID685884
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)5-8-4-9(13)2-3-11(8)14/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyUDXIXURLORNTCF-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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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 685884) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UDXIXURLORNTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)5-8-4-9(13)2-3-11(8)14/h2-4,6H,5H2,1H3,(H,15,16,17).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(2,5-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-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 685884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).