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

C16H18F2N4O3S — CID 73007125

IUPAC2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C16H18F2N4O3S/c1-3-4-12(14(24)20-16-22-21-8(2)26-16)19-15(25)13(23)9-5-10(17)7-11(18)6-9/h5-7,12-13,23H,3-4H2,1-2H3,(H,19,25)(H,20,22,24)
InChIKeySYNJCIWIOZCPET-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.08
Rot. Bonds7

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

2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 73007125) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID73007125
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C16H18F2N4O3S/c1-3-4-12(14(24)20-16-22-21-8(2)26-16)19-15(25)13(23)9-5-10(17)7-11(18)6-9/h5-7,12-13,23H,3-4H2,1-2H3,(H,19,25)(H,20,22,24)
InChIKeySYNJCIWIOZCPET-UHFFFAOYSA-N
XLogP2.08
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 45821321
2-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11525312
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 11566847
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 11567127
2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11662460
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 11676243
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
CID 11690434
N-[5-[4-(cyclopropylamino)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
CID 25007943
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
CID 25007947
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 25008449
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-1-phenylmethoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 25008451
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 25008454

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 73007125) is 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide is CCCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is SYNJCIWIOZCPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c1-3-4-12(14(24)20-16-22-21-8(2)26-16)19-15(25)13(23)9-5-10(17)7-11(18)6-9/h5-7,12-13,23H,3-4H2,1-2H3,(H,19,25)(H,20,22,24).
What are the key properties of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 384.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 73007125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).