(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

C13H19N7OS2 — CID 40829981

IUPAC(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)[C@H](CC)Sc2nc(N)cc(N)n2)s1
InChIInChI=1S/C13H19N7OS2/c1-3-5-10-19-20-13(23-10)18-11(21)7(4-2)22-12-16-8(14)6-9(15)17-12/h6-7H,3-5H2,1-2H3,(H,18,20,21)(H4,14,15,16,17)/t7-/m0/s1
InChIKeyRFXXVEVSJBWWTA-ZETCQYMHSA-N
MW353.48 g/mol
LogP1.95
Rot. Bonds7

About (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 40829981) has the molecular formula C13H19N7OS2 and a molecular weight of 353.48 g/mol. Its IUPAC name is (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID40829981
Molecular FormulaC13H19N7OS2
Molecular Weight353.48 g/mol
Exact Mass353.11
IUPAC Name(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)[C@H](CC)Sc2nc(N)cc(N)n2)s1
InChIInChI=1S/C13H19N7OS2/c1-3-5-10-19-20-13(23-10)18-11(21)7(4-2)22-12-16-8(14)6-9(15)17-12/h6-7H,3-5H2,1-2H3,(H,18,20,21)(H4,14,15,16,17)/t7-/m0/s1
InChIKeyRFXXVEVSJBWWTA-ZETCQYMHSA-N
XLogP1.95
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide with MolForge

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 135511540
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23886306
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide
CID 23858516
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
(2S)-N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 7345794
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 135414606
ethyl (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoate
CID 864590
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 17017883
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304722
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
N-(3-chloro-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 21233629
N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 21232483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 40829981) is (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)[C@H](CC)Sc2nc(N)cc(N)n2)s1.
What is the InChIKey of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is RFXXVEVSJBWWTA-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H19N7OS2/c1-3-5-10-19-20-13(23-10)18-11(21)7(4-2)22-12-16-8(14)6-9(15)17-12/h6-7H,3-5H2,1-2H3,(H,18,20,21)(H4,14,15,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 353.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 40829981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).