2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide

C12H14N2OS2 — CID 2350907

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSC1=NCCS1)c1ccccc1
InChIInChI=1S/C12H14N2OS2/c1-14(10-5-3-2-4-6-10)11(15)9-17-12-13-7-8-16-12/h2-6H,7-9H2,1H3
InChIKeyNMJCTAIHHZHORW-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.49
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide (PubChem CID 2350907) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide
PubChem CID2350907
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSC1=NCCS1)c1ccccc1
InChIInChI=1S/C12H14N2OS2/c1-14(10-5-3-2-4-6-10)11(15)9-17-12-13-7-8-16-12/h2-6H,7-9H2,1H3
InChIKeyNMJCTAIHHZHORW-UHFFFAOYSA-N
XLogP2.49
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide (CID 2350907) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide is CN(C(=O)CSC1=NCCS1)c1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide?
The InChIKey is NMJCTAIHHZHORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-14(10-5-3-2-4-6-10)11(15)9-17-12-13-7-8-16-12/h2-6H,7-9H2,1H3.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide has a molecular weight of 266.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 2350907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).