N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide

C9H8N4OS2 — CID 15729158

IUPACN-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(Sc2ncccn2)s1
InChIInChI=1S/C9H8N4OS2/c1-6(14)13-9-12-5-7(16-9)15-8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14)
InChIKeyYLVAJMXHCTYFQK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.04
Rot. Bonds3

About N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide

N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide (PubChem CID 15729158) has the molecular formula C9H8N4OS2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide
PubChem CID15729158
Molecular FormulaC9H8N4OS2
Molecular Weight252.32 g/mol
Exact Mass252.01
IUPAC NameN-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(Sc2ncccn2)s1
InChIInChI=1S/C9H8N4OS2/c1-6(14)13-9-12-5-7(16-9)15-8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14)
InChIKeyYLVAJMXHCTYFQK-UHFFFAOYSA-N
XLogP2.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide (CID 15729158) is N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc(Sc2ncccn2)s1.
What is the InChIKey of N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YLVAJMXHCTYFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS2/c1-6(14)13-9-12-5-7(16-9)15-8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14).
What are the key properties of N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide?
N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrimidin-2-ylsulfanyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 15729158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).