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

C10H12N6OS2 — CID 3169630

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H12N6OS2/c1-5-3-18-9(13-5)16-8(17)4-19-10-14-6(11)2-7(12)15-10/h2-3H,4H2,1H3,(H,13,16,17)(H4,11,12,14,15)
InChIKeyFTAWKFOIYUJQMJ-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.14
Rot. Bonds4

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3169630) has the molecular formula C10H12N6OS2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3169630
Molecular FormulaC10H12N6OS2
Molecular Weight296.38 g/mol
Exact Mass296.05
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H12N6OS2/c1-5-3-18-9(13-5)16-8(17)4-19-10-14-6(11)2-7(12)15-10/h2-3H,4H2,1H3,(H,13,16,17)(H4,11,12,14,15)
InChIKeyFTAWKFOIYUJQMJ-UHFFFAOYSA-N
XLogP1.14
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3169630) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FTAWKFOIYUJQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS2/c1-5-3-18-9(13-5)16-8(17)4-19-10-14-6(11)2-7(12)15-10/h2-3H,4H2,1H3,(H,13,16,17)(H4,11,12,14,15).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 296.38 g/mol, XLogP of 1.14, 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-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3169630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).