5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide

C24H27FN6O4S — CID 156895430

About 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide

5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide (PubChem CID 156895430) has the molecular formula C24H27FN6O4S and a molecular weight of 514.58 g/mol. Its IUPAC name is 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 156895430
• Molecular Formula: C24H27FN6O4S
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.18
• IUPAC Name: 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cc(C(=O)NC3CCCC3(C)C)no2)s1
• InChI: InChI=1S/C24H27FN6O4S/c1-12(21(27)33)31(14-8-6-13(25)7-9-14)23-29-20(26)19(36-23)18(32)16-11-15(30-35-16)22(34)28-17-5-4-10-24(17,2)3/h6-9,11-12,17H,4-5,10,26H2,1-3H3,(H2,27,33)(H,28,34)
• InChIKey: LUDDGDOAMZXIPT-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 157.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide (CID 156895430) is 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide is CC(C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cc(C(=O)NC3CCCC3(C)C)no2)s1.

What is the InChIKey of 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide?

The InChIKey is LUDDGDOAMZXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4S/c1-12(21(27)33)31(14-8-6-13(25)7-9-14)23-29-20(26)19(36-23)18(32)16-11-15(30-35-16)22(34)28-17-5-4-10-24(17,2)3/h6-9,11-12,17H,4-5,10,26H2,1-3H3,(H2,27,33)(H,28,34).

What are the key properties of 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide?

5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156895430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).