tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate

C20H25FN4O2S — CID 154668014

About tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate

tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate (PubChem CID 154668014) has the molecular formula C20H25FN4O2S and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate
• PubChem CID: 154668014
• Molecular Formula: C20H25FN4O2S
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.17
• IUPAC Name: tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate
• SMILES: Cc1cccc(-c2nc(NC(CNC(=O)OC(C)(C)C)=C3CCC3)sc2F)n1
• InChI: InChI=1S/C20H25FN4O2S/c1-12-7-5-10-14(23-12)16-17(21)28-18(25-16)24-15(13-8-6-9-13)11-22-19(26)27-20(2,3)4/h5,7,10H,6,8-9,11H2,1-4H3,(H,22,26)(H,24,25)
• InChIKey: TYKVTQNDOYNBEG-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate (CID 154668014) is tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate is Cc1cccc(-c2nc(NC(CNC(=O)OC(C)(C)C)=C3CCC3)sc2F)n1.

What is the InChIKey of tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate?

The InChIKey is TYKVTQNDOYNBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2S/c1-12-7-5-10-14(23-12)16-17(21)28-18(25-16)24-15(13-8-6-9-13)11-22-19(26)27-20(2,3)4/h5,7,10H,6,8-9,11H2,1-4H3,(H,22,26)(H,24,25).

What are the key properties of tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate?

tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate has a molecular weight of 404.51 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-cyclobutylidene-2-[[5-fluoro-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 154668014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).