2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C10H13N7OS2 — CID 2168885

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C10H13N7OS2/c1-2-8-16-17-10(20-8)15-7(18)4-19-9-13-5(11)3-6(12)14-9/h3H,2,4H2,1H3,(H,15,17,18)(H4,11,12,13,14)
InChIKeyMNKJNJWHGYHCQL-UHFFFAOYSA-N
MW311.40 g/mol
LogP0.79
Rot. Bonds5

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2168885) has the molecular formula C10H13N7OS2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2168885
Molecular FormulaC10H13N7OS2
Molecular Weight311.40 g/mol
Exact Mass311.06
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C10H13N7OS2/c1-2-8-16-17-10(20-8)15-7(18)4-19-9-13-5(11)3-6(12)14-9/h3H,2,4H2,1H3,(H,15,17,18)(H4,11,12,13,14)
InChIKeyMNKJNJWHGYHCQL-UHFFFAOYSA-N
XLogP0.79
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 3173027
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2168880
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2161999
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2168890
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 709550
Cambridge id 7126499
CID 1075880
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17019813
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 40829994
(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 40829995
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)thio)acetamide
CID 44071642
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3162014
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3169630

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2168885) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MNKJNJWHGYHCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7OS2/c1-2-8-16-17-10(20-8)15-7(18)4-19-9-13-5(11)3-6(12)14-9/h3H,2,4H2,1H3,(H,15,17,18)(H4,11,12,13,14).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 311.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2168885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).