N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide

C16H20N2OS2 — CID 18154999

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1sc(SC)nc1C
InChIInChI=1S/C16H20N2OS2/c1-5-12-8-6-7-10(2)15(12)18-14(19)9-13-11(3)17-16(20-4)21-13/h6-8H,5,9H2,1-4H3,(H,18,19)
InChIKeyNQEPJLKULGABPY-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.23
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide (PubChem CID 18154999) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
PubChem CID18154999
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1sc(SC)nc1C
InChIInChI=1S/C16H20N2OS2/c1-5-12-8-6-7-10(2)15(12)18-14(19)9-13-11(3)17-16(20-4)21-13/h6-8H,5,9H2,1-4H3,(H,18,19)
InChIKeyNQEPJLKULGABPY-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8761777
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
CID 108512119
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 43250244
N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 42942884
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
N-(2-ethyl-6-methylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110857953
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9153801
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide (CID 18154999) is N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide is CCc1cccc(C)c1NC(=O)Cc1sc(SC)nc1C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is NQEPJLKULGABPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-5-12-8-6-7-10(2)15(12)18-14(19)9-13-11(3)17-16(20-4)21-13/h6-8H,5,9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 320.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 18154999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).