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

C13H13FN2OS2 — CID 2532645

IUPACN-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H13FN2OS2/c1-8-3-4-10(5-11(8)14)16-12(17)7-19-13-15-9(2)6-18-13/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyMVJHREQDJSUGKN-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.63
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2532645) has the molecular formula C13H13FN2OS2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2532645
Molecular FormulaC13H13FN2OS2
Molecular Weight296.39 g/mol
Exact Mass296.05
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H13FN2OS2/c1-8-3-4-10(5-11(8)14)16-12(17)7-19-13-15-9(2)6-18-13/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyMVJHREQDJSUGKN-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2532645) is N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2ccc(C)c(F)c2)n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is MVJHREQDJSUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS2/c1-8-3-4-10(5-11(8)14)16-12(17)7-19-13-15-9(2)6-18-13/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2532645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).