2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C11H10N6OS3 — CID 617407

IUPAC2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCSc1nc(N)nc(SCC(=O)Nc2nccs2)c1C#N
InChIInChI=1S/C11H10N6OS3/c1-19-8-6(4-12)9(17-10(13)16-8)21-5-7(18)15-11-14-2-3-20-11/h2-3H,5H2,1H3,(H2,13,16,17)(H,14,15,18)
InChIKeyMKVLMRMKUVWVEX-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.84
Rot. Bonds5

About 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 617407) has the molecular formula C11H10N6OS3 and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID617407
Molecular FormulaC11H10N6OS3
Molecular Weight338.44 g/mol
Exact Mass338.01
IUPAC Name2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCSc1nc(N)nc(SCC(=O)Nc2nccs2)c1C#N
InChIInChI=1S/C11H10N6OS3/c1-19-8-6(4-12)9(17-10(13)16-8)21-5-7(18)15-11-14-2-3-20-11/h2-3H,5H2,1H3,(H2,13,16,17)(H,14,15,18)
InChIKeyMKVLMRMKUVWVEX-UHFFFAOYSA-N
XLogP1.84
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-((2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 1963634
2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 708835
N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 110466780
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 16489829
2-(methylthio)-N-1,3-thiazol-2-yl-5-pyrimidinecarboxamide
CID 2227046
2-(pyrimidin-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide
CID 2952358
2-(dimethylamino)-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 20959311
2-[(3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 22332352
2-(pyrimidin-4-ylthio)-N-(thiazol-2-yl)acetamide
CID 49670348
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 16479882
2-Acetamido-5-(2-pyrimidinylthio)thiazole
CID 15729158
2-Acetylamino-5-(4-aminopyrimidin-2-ylthio)thiazole
CID 15729201

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 617407) is 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CSc1nc(N)nc(SCC(=O)Nc2nccs2)c1C#N.
What is the InChIKey of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MKVLMRMKUVWVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS3/c1-19-8-6(4-12)9(17-10(13)16-8)21-5-7(18)15-11-14-2-3-20-11/h2-3H,5H2,1H3,(H2,13,16,17)(H,14,15,18).
What are the key properties of 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 338.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 617407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).