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

C14H14Cl2N2OS2 — CID 2532666

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2OS2/c1-9-7-20-14(18-9)21-8-13(19)17-5-4-10-2-3-11(15)6-12(10)16/h2-3,6-7H,4-5,8H2,1H3,(H,17,19)
InChIKeyVGLWNDXNUSFQAD-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.21
Rot. Bonds6

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

N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2532666) has the molecular formula C14H14Cl2N2OS2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2532666
Molecular FormulaC14H14Cl2N2OS2
Molecular Weight361.32 g/mol
Exact Mass359.99
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2OS2/c1-9-7-20-14(18-9)21-8-13(19)17-5-4-10-2-3-11(15)6-12(10)16/h2-3,6-7H,4-5,8H2,1H3,(H,17,19)
InChIKeyVGLWNDXNUSFQAD-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2532666) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VGLWNDXNUSFQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS2/c1-9-7-20-14(18-9)21-8-13(19)17-5-4-10-2-3-11(15)6-12(10)16/h2-3,6-7H,4-5,8H2,1H3,(H,17,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 361.32 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2532666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).