2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H14N2OS2 — CID 2194055

IUPAC2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C13H14N2OS2/c1-9-3-5-11(6-4-9)17-8-12(16)15-13-14-7-10(2)18-13/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyNWUFADSDOHFLRX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.49
Rot. Bonds4

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

2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2194055) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2194055
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C13H14N2OS2/c1-9-3-5-11(6-4-9)17-8-12(16)15-13-14-7-10(2)18-13/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyNWUFADSDOHFLRX-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2194055) is 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(SCC(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NWUFADSDOHFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-9-3-5-11(6-4-9)17-8-12(16)15-13-14-7-10(2)18-13/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2194055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).