2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C13H13ClN2O2S2 — CID 16850008

IUPAC2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCc1csc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O2S2/c1-19-7-10-8-20-13(15-10)16-12(17)6-18-11-4-2-9(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyWDIXWSPZCRABHH-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16850008) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16850008
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC Name2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCc1csc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O2S2/c1-19-7-10-8-20-13(15-10)16-12(17)6-18-11-4-2-9(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyWDIXWSPZCRABHH-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 16850008) is 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CSCc1csc(NC(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WDIXWSPZCRABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c1-19-7-10-8-20-13(15-10)16-12(17)6-18-11-4-2-9(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 328.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16850008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).