N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine

C19H27N2O2PS — CID 11914617

About N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine

N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine (PubChem CID 11914617) has the molecular formula C19H27N2O2PS and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine
• PubChem CID: 11914617
• Molecular Formula: C19H27N2O2PS
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.15
• IUPAC Name: N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1nccs1)c1ccccc1
• InChI: InChI=1S/C19H27N2O2PS/c1-14(2)17-10-9-15(3)13-18(17)23-24(22,16-7-5-4-6-8-16)21-19-20-11-12-25-19/h4-8,11-12,14-15,17-18H,9-10,13H2,1-3H3,(H,20,21,22)/t15-,17+,18-,24+/m1/s1
• InChIKey: UYVHGVYNQZTQAH-ANUWBGAGSA-N
• XLogP: 5.55
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine?

The IUPAC name of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine (CID 11914617) is N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine?

The canonical SMILES for N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1nccs1)c1ccccc1.

What is the InChIKey of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine?

The InChIKey is UYVHGVYNQZTQAH-ANUWBGAGSA-N. The full InChI is InChI=1S/C19H27N2O2PS/c1-14(2)17-10-9-15(3)13-18(17)23-24(22,16-7-5-4-6-8-16)21-19-20-11-12-25-19/h4-8,11-12,14-15,17-18H,9-10,13H2,1-3H3,(H,20,21,22)/t15-,17+,18-,24+/m1/s1.

What are the key properties of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine?

N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine has a molecular weight of 378.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11914617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).