N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide

C21H25FN4O3S — CID 42780663

About N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide

N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 42780663) has the molecular formula C21H25FN4O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
• PubChem CID: 42780663
• Molecular Formula: C21H25FN4O3S
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.16
• IUPAC Name: N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
• SMILES: CCN(CC)C(=O)Cc1csc(NC(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)n1
• InChI: InChI=1S/C21H25FN4O3S/c1-3-25(4-2)19(28)11-16-13-30-21(23-16)24-18(27)12-26(17-9-10-17)20(29)14-5-7-15(22)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,23,24,27)
• InChIKey: FNIJULHMQOWEIW-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?

The IUPAC name of N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 42780663) is N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?

The canonical SMILES for N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide is CCN(CC)C(=O)Cc1csc(NC(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)n1.

What is the InChIKey of N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?

The InChIKey is FNIJULHMQOWEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3S/c1-3-25(4-2)19(28)11-16-13-30-21(23-16)24-18(27)12-26(17-9-10-17)20(29)14-5-7-15(22)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,23,24,27).

What are the key properties of N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?

N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 432.52 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 42780663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).