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

C17H20F2N4O3S — CID 25008449

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)O)s1
InChIInChI=1S/C17H20F2N4O3S/c1-3-4-13(15(26)21-17-23-22-16(27-17)9(2)24)20-14(25)7-10-5-11(18)8-12(19)6-10/h5-6,8-9,13,24H,3-4,7H2,1-2H3,(H,20,25)(H,21,23,26)
InChIKeyILOWXDSUNYIIBU-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.34
Rot. Bonds8

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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 25008449) has the molecular formula C17H20F2N4O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID25008449
Molecular FormulaC17H20F2N4O3S
Molecular Weight398.44 g/mol
Exact Mass398.12
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)O)s1
InChIInChI=1S/C17H20F2N4O3S/c1-3-4-13(15(26)21-17-23-22-16(27-17)9(2)24)20-14(25)7-10-5-11(18)8-12(19)6-10/h5-6,8-9,13,24H,3-4,7H2,1-2H3,(H,20,25)(H,21,23,26)
InChIKeyILOWXDSUNYIIBU-UHFFFAOYSA-N
XLogP2.34
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 25008449) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)O)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is ILOWXDSUNYIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S/c1-3-4-13(15(26)21-17-23-22-16(27-17)9(2)24)20-14(25)7-10-5-11(18)8-12(19)6-10/h5-6,8-9,13,24H,3-4,7H2,1-2H3,(H,20,25)(H,21,23,26).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 398.44 g/mol, XLogP of 2.34, 8 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)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 25008449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).