N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane

C26H34N4O2S — CID 154669914

About N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane

N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane (PubChem CID 154669914) has the molecular formula C26H34N4O2S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane
• PubChem CID: 154669914
• Molecular Formula: C26H34N4O2S
• Molecular Weight: 466.65 g/mol
• Exact Mass: 466.24
• IUPAC Name: N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane
• SMILES: CC.CC(C)Oc1cccc(-c2csc(NC(CNC(=O)c3ccn(C)c3)=C3CCC3)n2)c1
• InChI: InChI=1S/C24H28N4O2S.C2H6/c1-16(2)30-20-9-5-8-18(12-20)22-15-31-24(27-22)26-21(17-6-4-7-17)13-25-23(29)19-10-11-28(3)14-19;1-2/h5,8-12,14-16H,4,6-7,13H2,1-3H3,(H,25,29)(H,26,27);1-2H3
• InChIKey: SQCKHYRKAFPJTP-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.65
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane?

The IUPAC name of N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane (CID 154669914) is N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane.

What is the SMILES notation for N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane?

The canonical SMILES for N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane is CC.CC(C)Oc1cccc(-c2csc(NC(CNC(=O)c3ccn(C)c3)=C3CCC3)n2)c1.

What is the InChIKey of N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane?

The InChIKey is SQCKHYRKAFPJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S.C2H6/c1-16(2)30-20-9-5-8-18(12-20)22-15-31-24(27-22)26-21(17-6-4-7-17)13-25-23(29)19-10-11-28(3)14-19;1-2/h5,8-12,14-16H,4,6-7,13H2,1-3H3,(H,25,29)(H,26,27);1-2H3.

What are the key properties of N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane?

N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane has a molecular weight of 466.65 g/mol, XLogP of 6.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane is sourced from PubChem (CID 154669914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).