N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C18H20N4O3S — CID 91773303

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 91773303) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

• Compound Name: N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
• PubChem CID: 91773303
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
• SMILES: COc1ccc(C(NC(=O)Cc2cn3ccsc3n2)C2CC(O)C2)cn1
• InChI: InChI=1S/C18H20N4O3S/c1-25-16-3-2-11(9-19-16)17(12-6-14(23)7-12)21-15(24)8-13-10-22-4-5-26-18(22)20-13/h2-5,9-10,12,14,17,23H,6-8H2,1H3,(H,21,24)
• InChIKey: LKSMDELZBSKSPV-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?

The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 91773303) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?

The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is COc1ccc(C(NC(=O)Cc2cn3ccsc3n2)C2CC(O)C2)cn1.

What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?

The InChIKey is LKSMDELZBSKSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-25-16-3-2-11(9-19-16)17(12-6-14(23)7-12)21-15(24)8-13-10-22-4-5-26-18(22)20-13/h2-5,9-10,12,14,17,23H,6-8H2,1H3,(H,21,24).

What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 372.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 91773303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).