N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide

C24H26N4O2S — CID 167069356

About N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 167069356) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide
• PubChem CID: 167069356
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide
• SMILES: CC(C)OC(C)(C)c1csc(NC(=O)c2cccn2Cc2ccnc3ccccc23)n1
• InChI: InChI=1S/C24H26N4O2S/c1-16(2)30-24(3,4)21-15-31-23(26-21)27-22(29)20-10-7-13-28(20)14-17-11-12-25-19-9-6-5-8-18(17)19/h5-13,15-16H,14H2,1-4H3,(H,26,27,29)
• InChIKey: HZVKHDNIYFRSRO-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide?

The IUPAC name of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide (CID 167069356) is N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide.

What is the SMILES notation for N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide?

The canonical SMILES for N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide is CC(C)OC(C)(C)c1csc(NC(=O)c2cccn2Cc2ccnc3ccccc23)n1.

What is the InChIKey of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide?

The InChIKey is HZVKHDNIYFRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16(2)30-24(3,4)21-15-31-23(26-21)27-22(29)20-10-7-13-28(20)14-17-11-12-25-19-9-6-5-8-18(17)19/h5-13,15-16H,14H2,1-4H3,(H,26,27,29).

What are the key properties of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide?

N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(quinolin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 167069356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).