(2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C18H19N5O2S2 — CID 135763783

About (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 135763783) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
• PubChem CID: 135763783
• Molecular Formula: C18H19N5O2S2
• Molecular Weight: 401.52 g/mol
• Exact Mass: 401.10
• IUPAC Name: (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
• SMILES: CC(C)c1nnc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)s1
• InChI: InChI=1S/C18H19N5O2S2/c1-10(2)16-22-23-18(27-16)21-15(25)11(3)26-17-19-13(9-14(24)20-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,24)(H,21,23,25)/t11-/m1/s1
• InChIKey: LAFPFIOOZZUIAJ-LLVKDONJSA-N
• XLogP: 3.53
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.52
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?

The IUPAC name of (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 135763783) is (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

What is the SMILES notation for (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?

The canonical SMILES for (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)c1nnc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)s1.

What is the InChIKey of (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?

The InChIKey is LAFPFIOOZZUIAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-10(2)16-22-23-18(27-16)21-15(25)11(3)26-17-19-13(9-14(24)20-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,24)(H,21,23,25)/t11-/m1/s1.

What are the key properties of (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?

(2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 401.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 135763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).