2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C9H8N4O2S2 — CID 972827

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1nccs1
InChIInChI=1S/C9H8N4O2S2/c14-6-1-2-10-9(12-6)17-5-7(15)13-8-11-3-4-16-8/h1-4H,5H2,(H,10,12,14)(H,11,13,15)
InChIKeyFNMWJVWRFRJNAC-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.96
Rot. Bonds4

About 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 972827) has the molecular formula C9H8N4O2S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID972827
Molecular FormulaC9H8N4O2S2
Molecular Weight268.32 g/mol
Exact Mass268.01
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1nccs1
InChIInChI=1S/C9H8N4O2S2/c14-6-1-2-10-9(12-6)17-5-7(15)13-8-11-3-4-16-8/h1-4H,5H2,(H,10,12,14)(H,11,13,15)
InChIKeyFNMWJVWRFRJNAC-UHFFFAOYSA-N
XLogP0.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Acetamidothiazole
CID 17625
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7184028
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
2-(2-Hydroxy-ethylsulfanyl)-N-thiazol-2-yl-acetamide
CID 652098
2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 7196830
4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
CID 4275223
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
5-oxo-N-(1,3-thiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3447444
(2E,4E)-N-(1,3-thiazol-2-yl)hexa-2,4-dienamide
CID 5750932
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 135473895
2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-YL)-N-(1,3-thiazol-2-YL)acetamide
CID 304574

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 972827) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1nccs1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FNMWJVWRFRJNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S2/c14-6-1-2-10-9(12-6)17-5-7(15)13-8-11-3-4-16-8/h1-4H,5H2,(H,10,12,14)(H,11,13,15).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 972827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).