5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide

C19H24N8O2S — CID 74983232

About 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 74983232) has the molecular formula C19H24N8O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 74983232
• Molecular Formula: C19H24N8O2S
• Molecular Weight: 428.52 g/mol
• Exact Mass: 428.17
• IUPAC Name: 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide
• SMILES: Cn1ncc(NC(=O)c2nc(-c3cccc(=O)[nH]3)sc2N)c1N1CCC[C@H](N)CC1
• InChI: InChI=1S/C19H24N8O2S/c1-26-19(27-8-3-4-11(20)7-9-27)13(10-22-26)24-17(29)15-16(21)30-18(25-15)12-5-2-6-14(28)23-12/h2,5-6,10-11H,3-4,7-9,20-21H2,1H3,(H,23,28)(H,24,29)/t11-/m0/s1
• InChIKey: FCFASDMKPQXXIJ-NSHDSACASA-N
• XLogP: 1.38
• TPSA: 147.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.52
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide (CID 74983232) is 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3cccc(=O)[nH]3)sc2N)c1N1CCC[C@H](N)CC1.

What is the InChIKey of 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is FCFASDMKPQXXIJ-NSHDSACASA-N. The full InChI is InChI=1S/C19H24N8O2S/c1-26-19(27-8-3-4-11(20)7-9-27)13(10-22-26)24-17(29)15-16(21)30-18(25-15)12-5-2-6-14(28)23-12/h2,5-6,10-11H,3-4,7-9,20-21H2,1H3,(H,23,28)(H,24,29)/t11-/m0/s1.

What are the key properties of 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide?

5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).