8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C21H17FN6OS — CID 155788171

About 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788171) has the molecular formula C21H17FN6OS and a molecular weight of 420.47 g/mol. Its IUPAC name is 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155788171
• Molecular Formula: C21H17FN6OS
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.12
• IUPAC Name: 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: Cc1nc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)s1
• InChI: InChI=1S/C21H17FN6OS/c1-11-19(26-12(2)30-11)16-9-25-21(28-10-13(7-23)27-20(16)28)24-8-15-14-5-6-29-18(14)4-3-17(15)22/h3-4,9-10H,5-6,8H2,1-2H3,(H,24,25)
• InChIKey: RMUQMIXHRVWFLW-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 88.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788171) is 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1nc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)s1.

What is the InChIKey of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is RMUQMIXHRVWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6OS/c1-11-19(26-12(2)30-11)16-9-25-21(28-10-13(7-23)27-20(16)28)24-8-15-14-5-6-29-18(14)4-3-17(15)22/h3-4,9-10H,5-6,8H2,1-2H3,(H,24,25).

What are the key properties of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 420.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).