methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate

C11H17N3O3S2 — CID 7163749

About methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate

methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate (PubChem CID 7163749) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate.

Molecular Properties

• Compound Name: methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate
• PubChem CID: 7163749
• Molecular Formula: C11H17N3O3S2
• Molecular Weight: 303.41 g/mol
• Exact Mass: 303.07
• IUPAC Name: methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate
• SMILES: COC(=O)CS[C@H](C)C(=O)Nc1nnc(C(C)C)s1
• InChI: InChI=1S/C11H17N3O3S2/c1-6(2)10-13-14-11(19-10)12-9(16)7(3)18-5-8(15)17-4/h6-7H,5H2,1-4H3,(H,12,14,16)/t7-/m1/s1
• InChIKey: JIHBDQQUCGZNMW-SSDOTTSWSA-N
• XLogP: 1.89
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.41
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate?

The IUPAC name of methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate (CID 7163749) is methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate.

What is the SMILES notation for methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate?

The canonical SMILES for methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate is COC(=O)CS[C@H](C)C(=O)Nc1nnc(C(C)C)s1.

What is the InChIKey of methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate?

The InChIKey is JIHBDQQUCGZNMW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-6(2)10-13-14-11(19-10)12-9(16)7(3)18-5-8(15)17-4/h6-7H,5H2,1-4H3,(H,12,14,16)/t7-/m1/s1.

What are the key properties of methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate?

methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate has a molecular weight of 303.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate is sourced from PubChem (CID 7163749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).