N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide

C20H25N5O2S — CID 167450278

About N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide

N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide (PubChem CID 167450278) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide
• PubChem CID: 167450278
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide
• SMILES: CC(C)OC(C)(C)c1csc(NC(=O)c2nccn2CCc2ccncc2)n1
• InChI: InChI=1S/C20H25N5O2S/c1-14(2)27-20(3,4)16-13-28-19(23-16)24-18(26)17-22-10-12-25(17)11-7-15-5-8-21-9-6-15/h5-6,8-10,12-14H,7,11H2,1-4H3,(H,23,24,26)
• InChIKey: HLFPZVHXNUYDJZ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide?

The IUPAC name of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide (CID 167450278) is N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide.

What is the SMILES notation for N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide?

The canonical SMILES for N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide is CC(C)OC(C)(C)c1csc(NC(=O)c2nccn2CCc2ccncc2)n1.

What is the InChIKey of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide?

The InChIKey is HLFPZVHXNUYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14(2)27-20(3,4)16-13-28-19(23-16)24-18(26)17-22-10-12-25(17)11-7-15-5-8-21-9-6-15/h5-6,8-10,12-14H,7,11H2,1-4H3,(H,23,24,26).

What are the key properties of N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide?

N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(2-pyridin-4-ylethyl)imidazole-2-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-pyridin-4-ylethyl)imidazole-2-carboxamide is sourced from PubChem (CID 167450278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).