N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide

C11H12N2OS2 — CID 977158

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1=NCCS1
InChIInChI=1S/C11H12N2OS2/c14-10(13-11-12-6-7-15-11)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14)
InChIKeyXNGMFDZURPNEDZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide (PubChem CID 977158) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
PubChem CID977158
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1=NCCS1
InChIInChI=1S/C11H12N2OS2/c14-10(13-11-12-6-7-15-11)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14)
InChIKeyXNGMFDZURPNEDZ-UHFFFAOYSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide (CID 977158) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is XNGMFDZURPNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c14-10(13-11-12-6-7-15-11)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 252.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).