2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide

C30H25FN4O2S — CID 10324525

About 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide

2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide (PubChem CID 10324525) has the molecular formula C30H25FN4O2S and a molecular weight of 524.62 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 10324525
• Molecular Formula: C30H25FN4O2S
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.17
• IUPAC Name: 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21
• InChI: InChI=1S/C30H25FN4O2S/c1-33(2)28(36)17-34-16-25(23-10-7-20(14-26(23)34)19-5-8-22(31)9-6-19)29(37)24-11-13-35-27(24)18-38-30(35)21-4-3-12-32-15-21/h3-16,30H,17-18H2,1-2H3
• InChIKey: AGOMXNDZHSMSMU-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 60.13 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide (CID 10324525) is 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21.

What is the InChIKey of 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide?

The InChIKey is AGOMXNDZHSMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2S/c1-33(2)28(36)17-34-16-25(23-10-7-20(14-26(23)34)19-5-8-22(31)9-6-19)29(37)24-11-13-35-27(24)18-38-30(35)21-4-3-12-32-15-21/h3-16,30H,17-18H2,1-2H3.

What are the key properties of 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide?

2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 524.62 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10324525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).