N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide

C18H20N8O2S2 — CID 126610953

About N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide

N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide (PubChem CID 126610953) has the molecular formula C18H20N8O2S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide
• PubChem CID: 126610953
• Molecular Formula: C18H20N8O2S2
• Molecular Weight: 444.55 g/mol
• Exact Mass: 444.12
• IUPAC Name: N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide
• SMILES: CC(=O)Nc1nnc(C[C@@H]2CCC(c3nnc(NC(=O)Cc4cncnc4)s3)C2)s1
• InChI: InChI=1S/C18H20N8O2S2/c1-10(27)21-17-25-23-15(29-17)6-11-2-3-13(4-11)16-24-26-18(30-16)22-14(28)5-12-7-19-9-20-8-12/h7-9,11,13H,2-6H2,1H3,(H,21,25,27)(H,22,26,28)/t11-,13?/m1/s1
• InChIKey: NDKOZMUTIIEKOK-JTDNENJMSA-N
• XLogP: 2.45
• TPSA: 135.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.55
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide?

The IUPAC name of N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide (CID 126610953) is N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide.

What is the SMILES notation for N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide?

The canonical SMILES for N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide is CC(=O)Nc1nnc(C[C@@H]2CCC(c3nnc(NC(=O)Cc4cncnc4)s3)C2)s1.

What is the InChIKey of N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide?

The InChIKey is NDKOZMUTIIEKOK-JTDNENJMSA-N. The full InChI is InChI=1S/C18H20N8O2S2/c1-10(27)21-17-25-23-15(29-17)6-11-2-3-13(4-11)16-24-26-18(30-16)22-14(28)5-12-7-19-9-20-8-12/h7-9,11,13H,2-6H2,1H3,(H,21,25,27)(H,22,26,28)/t11-,13?/m1/s1.

What are the key properties of N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide?

N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide has a molecular weight of 444.55 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide is sourced from PubChem (CID 126610953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).