2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C11H14N6OS2 — CID 3173027

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc(N)cc(N)n2)sc1C
InChIInChI=1S/C11H14N6OS2/c1-5-6(2)20-11(14-5)17-9(18)4-19-10-15-7(12)3-8(13)16-10/h3H,4H2,1-2H3,(H,14,17,18)(H4,12,13,15,16)
InChIKeyMSJMCJQUBKZOQZ-UHFFFAOYSA-N
MW310.41 g/mol
LogP1.45
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3173027) has the molecular formula C11H14N6OS2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID3173027
Molecular FormulaC11H14N6OS2
Molecular Weight310.41 g/mol
Exact Mass310.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc(N)cc(N)n2)sc1C
InChIInChI=1S/C11H14N6OS2/c1-5-6(2)20-11(14-5)17-9(18)4-19-10-15-7(12)3-8(13)16-10/h3H,4H2,1-2H3,(H,14,17,18)(H4,12,13,15,16)
InChIKeyMSJMCJQUBKZOQZ-UHFFFAOYSA-N
XLogP1.45
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-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

Related Compounds

2-((2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 1963634
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2168885
2-[(4,6-Dimethylpyrimidin-2-YL)sulfanyl]-N-(4-methyl-1,3-thiazol-2-YL)acetamide
CID 2345793
2-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 39046089
4-methyl-N-(6-methyl-2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 87886184
N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 169227925
2-(2-Amino-1,3-thiazol-4-yl)pyrimidine-4,6-diamine
CID 176254257
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 956543
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3169630
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 3731797
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 4664272
N-(4-Methyl-1,3-thiazol-2-YL)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 9457592

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 3173027) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CSc2nc(N)cc(N)n2)sc1C.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MSJMCJQUBKZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS2/c1-5-6(2)20-11(14-5)17-9(18)4-19-10-15-7(12)3-8(13)16-10/h3H,4H2,1-2H3,(H,14,17,18)(H4,12,13,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 310.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3173027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).