N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide

C9H9N5OS2 — CID 15729201

IUPACN-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Sc2nccc(N)n2)s1
InChIInChI=1S/C9H9N5OS2/c1-5(15)13-9-12-4-7(17-9)16-8-11-3-2-6(10)14-8/h2-4H,1H3,(H2,10,11,14)(H,12,13,15)
InChIKeyVWZUTUJPCGTUPX-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.62
Rot. Bonds3

About N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide

N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide (PubChem CID 15729201) has the molecular formula C9H9N5OS2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide
PubChem CID15729201
Molecular FormulaC9H9N5OS2
Molecular Weight267.34 g/mol
Exact Mass267.02
IUPAC NameN-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Sc2nccc(N)n2)s1
InChIInChI=1S/C9H9N5OS2/c1-5(15)13-9-12-4-7(17-9)16-8-11-3-2-6(10)14-8/h2-4H,1H3,(H2,10,11,14)(H,12,13,15)
InChIKeyVWZUTUJPCGTUPX-UHFFFAOYSA-N
XLogP1.62
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide 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-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide (CID 15729201) is N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Sc2nccc(N)n2)s1.
What is the InChIKey of N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is VWZUTUJPCGTUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS2/c1-5(15)13-9-12-4-7(17-9)16-8-11-3-2-6(10)14-8/h2-4H,1H3,(H2,10,11,14)(H,12,13,15).
What are the key properties of N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 267.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminopyrimidin-2-yl)sulfanyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 15729201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).