1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide

C22H23N9O2S2 — CID 118492734

About 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide

1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide (PubChem CID 118492734) has the molecular formula C22H23N9O2S2 and a molecular weight of 509.62 g/mol. Its IUPAC name is 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide
• PubChem CID: 118492734
• Molecular Formula: C22H23N9O2S2
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.14
• IUPAC Name: 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide
• SMILES: Cn1cnc(C(=O)Nc2nnc(C[C@H]3CC[C@@H](c4nnc(NC(=O)Cc5ccccn5)s4)C3)s2)c1
• InChI: InChI=1S/C22H23N9O2S2/c1-31-11-16(24-12-31)19(33)26-22-29-27-18(34-22)9-13-5-6-14(8-13)20-28-30-21(35-20)25-17(32)10-15-4-2-3-7-23-15/h2-4,7,11-14H,5-6,8-10H2,1H3,(H,25,30,32)(H,26,29,33)/t13-,14+/m0/s1
• InChIKey: HFKVGCYJUREGPS-UONOGXRCSA-N
• XLogP: 3.08
• TPSA: 140.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide?

The IUPAC name of 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide (CID 118492734) is 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide?

The canonical SMILES for 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide is Cn1cnc(C(=O)Nc2nnc(C[C@H]3CC[C@@H](c4nnc(NC(=O)Cc5ccccn5)s4)C3)s2)c1.

What is the InChIKey of 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide?

The InChIKey is HFKVGCYJUREGPS-UONOGXRCSA-N. The full InChI is InChI=1S/C22H23N9O2S2/c1-31-11-16(24-12-31)19(33)26-22-29-27-18(34-22)9-13-5-6-14(8-13)20-28-30-21(35-20)25-17(32)10-15-4-2-3-7-23-15/h2-4,7,11-14H,5-6,8-10H2,1H3,(H,25,30,32)(H,26,29,33)/t13-,14+/m0/s1.

What are the key properties of 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide?

1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide has a molecular weight of 509.62 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 118492734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).