N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide

C12H12N2O2S2 — CID 728040

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSC1=NCCS1)NC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2S2/c15-10(8-18-12-13-6-7-17-12)14-11(16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15,16)
InChIKeyVVRCPCFPGPKEMU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.78
Rot. Bonds3

About N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide

N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide (PubChem CID 728040) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide
PubChem CID728040
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSC1=NCCS1)NC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2S2/c15-10(8-18-12-13-6-7-17-12)14-11(16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15,16)
InChIKeyVVRCPCFPGPKEMU-UHFFFAOYSA-N
XLogP1.78
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide (CID 728040) is N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide is O=C(CSC1=NCCS1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide?
The InChIKey is VVRCPCFPGPKEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c15-10(8-18-12-13-6-7-17-12)14-11(16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15,16).
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 728040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).