N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide

C13H14N2OS2 — CID 4795879

IUPACN-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2csc(C)n2)cc1
InChIInChI=1S/C13H14N2OS2/c1-9(16)14-11-3-5-13(6-4-11)18-8-12-7-17-10(2)15-12/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyVQMRLAJDOCNGFY-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.70
Rot. Bonds4

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

N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 4795879) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
PubChem CID4795879
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2csc(C)n2)cc1
InChIInChI=1S/C13H14N2OS2/c1-9(16)14-11-3-5-13(6-4-11)18-8-12-7-17-10(2)15-12/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyVQMRLAJDOCNGFY-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624321
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 43042705
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299423
2-[4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 2567540
[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 51617067
N-[2-methyl-5-(propanoylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46467205
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 31167511
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877
[2-(methylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 18149571
2-chloro-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid
CID 113371620
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 46523253

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide (CID 4795879) is N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2csc(C)n2)cc1.
What is the InChIKey of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is VQMRLAJDOCNGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-9(16)14-11-3-5-13(6-4-11)18-8-12-7-17-10(2)15-12/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide?
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 4795879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).