2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol

C17H20N4O2S — CID 87371058

About 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol

2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 87371058) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
• PubChem CID: 87371058
• Molecular Formula: C17H20N4O2S
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.13
• IUPAC Name: 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
• SMILES: COc1cc(Nc2nc(C(C)(C)O)cs2)ccc1-c1ncc(C)[nH]1
• InChI: InChI=1S/C17H20N4O2S/c1-10-8-18-15(19-10)12-6-5-11(7-13(12)23-4)20-16-21-14(9-24-16)17(2,3)22/h5-9,22H,1-4H3,(H,18,19)(H,20,21)
• InChIKey: BJEDRUSRMSFCRS-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 83.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?

The IUPAC name of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol (CID 87371058) is 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol.

What is the SMILES notation for 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?

The canonical SMILES for 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol is COc1cc(Nc2nc(C(C)(C)O)cs2)ccc1-c1ncc(C)[nH]1.

What is the InChIKey of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?

The InChIKey is BJEDRUSRMSFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-8-18-15(19-10)12-6-5-11(7-13(12)23-4)20-16-21-14(9-24-16)17(2,3)22/h5-9,22H,1-4H3,(H,18,19)(H,20,21).

What are the key properties of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?

2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 344.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 87371058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).