N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide

C19H21F2N3O3S — CID 3278116

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3278116) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3278116
• Molecular Formula: C19H21F2N3O3S
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.13
• IUPAC Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide
• SMILES: Cc1nc(NC(=O)CN(CC2CCCO2)C(=O)c2cc(F)cc(F)c2)sc1C
• InChI: InChI=1S/C19H21F2N3O3S/c1-11-12(2)28-19(22-11)23-17(25)10-24(9-16-4-3-5-27-16)18(26)13-6-14(20)8-15(21)7-13/h6-8,16H,3-5,9-10H2,1-2H3,(H,22,23,25)
• InChIKey: PBOLHDZNVGHUSH-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide (CID 3278116) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide is Cc1nc(NC(=O)CN(CC2CCCO2)C(=O)c2cc(F)cc(F)c2)sc1C.

What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is PBOLHDZNVGHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-11-12(2)28-19(22-11)23-17(25)10-24(9-16-4-3-5-27-16)18(26)13-6-14(20)8-15(21)7-13/h6-8,16H,3-5,9-10H2,1-2H3,(H,22,23,25).

What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide?

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 409.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3278116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).