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

C14H16N2OS2 — CID 2532954

IUPACN-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2OS2/c1-3-11-4-6-12(7-5-11)16-13(17)9-19-14-15-10(2)8-18-14/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKeyBVVUNVRAIPXIFK-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.74
Rot. Bonds5

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

N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2532954) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2532954
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2OS2/c1-3-11-4-6-12(7-5-11)16-13(17)9-19-14-15-10(2)8-18-14/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKeyBVVUNVRAIPXIFK-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2532954) is N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2nc(C)cs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is BVVUNVRAIPXIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-3-11-4-6-12(7-5-11)16-13(17)9-19-14-15-10(2)8-18-14/h4-8H,3,9H2,1-2H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2532954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).