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

C17H17N5O2S2 — CID 135763798

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

(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135763798) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
• PubChem CID: 135763798
• Molecular Formula: C17H17N5O2S2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.08
• IUPAC Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
• SMILES: CCc1nnc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)s1
• InChI: InChI=1S/C17H17N5O2S2/c1-3-14-21-22-17(26-14)20-15(24)10(2)25-16-18-12(9-13(23)19-16)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,23)(H,20,22,24)/t10-/m0/s1
• InChIKey: LLLZOZORNMBAJA-JTQLQIEISA-N
• XLogP: 2.97
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135763798) is (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

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

The canonical SMILES for (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is CCc1nnc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)s1.

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

The InChIKey is LLLZOZORNMBAJA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N5O2S2/c1-3-14-21-22-17(26-14)20-15(24)10(2)25-16-18-12(9-13(23)19-16)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,23)(H,20,22,24)/t10-/m0/s1.

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

(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 387.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135763798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).