[(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

C25H32N6O2S2 — CID 144814477

About [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

[(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 144814477) has the molecular formula C25H32N6O2S2 and a molecular weight of 512.71 g/mol. Its IUPAC name is [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
• PubChem CID: 144814477
• Molecular Formula: C25H32N6O2S2
• Molecular Weight: 512.71 g/mol
• Exact Mass: 512.20
• IUPAC Name: [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
• SMILES: CC[C@@H]1CN(C(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)nc2)CC(C)(CC)/C1=N\OC
• InChI: InChI=1S/C25H32N6O2S2/c1-7-17-12-31(14-25(5,8-2)22(17)30-33-6)23(32)18-9-10-20(26-11-18)29-24-28-19(13-34-24)21-15(3)27-16(4)35-21/h9-11,13,17H,7-8,12,14H2,1-6H3,(H,26,28,29)/b30-22-/t17-,25?/m1/s1
• InChIKey: RMYGFCNPIRPNBK-JJKWXLRHSA-N
• XLogP: 5.92
• TPSA: 92.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.71
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

The IUPAC name of [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (CID 144814477) is [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

What is the SMILES notation for [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

The canonical SMILES for [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is CC[C@@H]1CN(C(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)nc2)CC(C)(CC)/C1=N\OC.

What is the InChIKey of [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

The InChIKey is RMYGFCNPIRPNBK-JJKWXLRHSA-N. The full InChI is InChI=1S/C25H32N6O2S2/c1-7-17-12-31(14-25(5,8-2)22(17)30-33-6)23(32)18-9-10-20(26-11-18)29-24-28-19(13-34-24)21-15(3)27-16(4)35-21/h9-11,13,17H,7-8,12,14H2,1-6H3,(H,26,28,29)/b30-22-/t17-,25?/m1/s1.

What are the key properties of [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

[(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 512.71 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 144814477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).