2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide

C16H18F2N4O2S — CID 91220128

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)ns1
InChIInChI=1S/C16H18F2N4O2S/c1-3-4-13(15(24)21-16-19-9(2)22-25-16)20-14(23)7-10-5-11(17)8-12(18)6-10/h5-6,8,13H,3-4,7H2,1-2H3,(H,20,23)(H,19,21,22,24)
InChIKeyFOOODXAVQQJRQA-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.59
Rot. Bonds7

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide (PubChem CID 91220128) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
PubChem CID91220128
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)ns1
InChIInChI=1S/C16H18F2N4O2S/c1-3-4-13(15(24)21-16-19-9(2)22-25-16)20-14(23)7-10-5-11(17)8-12(18)6-10/h5-6,8,13H,3-4,7H2,1-2H3,(H,20,23)(H,19,21,22,24)
InChIKeyFOOODXAVQQJRQA-UHFFFAOYSA-N
XLogP2.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide (CID 91220128) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)ns1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
The InChIKey is FOOODXAVQQJRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-3-4-13(15(24)21-16-19-9(2)22-25-16)20-14(23)7-10-5-11(17)8-12(18)6-10/h5-6,8,13H,3-4,7H2,1-2H3,(H,20,23)(H,19,21,22,24).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide has a molecular weight of 368.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide is sourced from PubChem (CID 91220128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).