2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide

C16H17F2N3O2S — CID 10066647

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nccs1
InChIInChI=1S/C16H17F2N3O2S/c1-2-3-13(15(23)21-16-19-4-5-24-16)20-14(22)8-10-6-11(17)9-12(18)7-10/h4-7,9,13H,2-3,8H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyKXIGFXNNYMYUGU-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.89
Rot. Bonds7

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 10066647) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID10066647
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nccs1
InChIInChI=1S/C16H17F2N3O2S/c1-2-3-13(15(23)21-16-19-4-5-24-16)20-14(22)8-10-6-11(17)9-12(18)7-10/h4-7,9,13H,2-3,8H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyKXIGFXNNYMYUGU-UHFFFAOYSA-N
XLogP2.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide (CID 10066647) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nccs1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is KXIGFXNNYMYUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c1-2-3-13(15(23)21-16-19-4-5-24-16)20-14(22)8-10-6-11(17)9-12(18)7-10/h4-7,9,13H,2-3,8H2,1H3,(H,20,22)(H,19,21,23).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 353.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 10066647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).