3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one

C20H18N4O3S2 — CID 159742257

About 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one

3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one (PubChem CID 159742257) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
• PubChem CID: 159742257
• Molecular Formula: C20H18N4O3S2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.08
• IUPAC Name: 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
• SMILES: Cc1nc(C)c(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)s1
• InChI: InChI=1S/C20H18N4O3S2/c1-13-19(28-14(2)23-13)29(26,27)17-6-3-15(4-7-17)5-8-18(25)16-11-22-20-21-9-10-24(20)12-16/h3-4,6-7,9-12H,5,8H2,1-2H3
• InChIKey: NCPLZJORXGCGBF-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 94.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?

The IUPAC name of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one (CID 159742257) is 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one.

What is the SMILES notation for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?

The canonical SMILES for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one is Cc1nc(C)c(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)s1.

What is the InChIKey of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?

The InChIKey is NCPLZJORXGCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13-19(28-14(2)23-13)29(26,27)17-6-3-15(4-7-17)5-8-18(25)16-11-22-20-21-9-10-24(20)12-16/h3-4,6-7,9-12H,5,8H2,1-2H3.

What are the key properties of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one?

3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one has a molecular weight of 426.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one is sourced from PubChem (CID 159742257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).