3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

C16H17F3N4O2S — CID 2833446

IUPAC3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCCCc1nnc(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)s1
InChIInChI=1S/C16H17F3N4O2S/c1-2-6-13-22-23-15(26-13)21-12(24)9-11(10-7-4-3-5-8-10)20-14(25)16(17,18)19/h3-5,7-8,11H,2,6,9H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyHYCAYDPMPYLQGT-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.24
Rot. Bonds7

About 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 2833446) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID2833446
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCCCc1nnc(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)s1
InChIInChI=1S/C16H17F3N4O2S/c1-2-6-13-22-23-15(26-13)21-12(24)9-11(10-7-4-3-5-8-10)20-14(25)16(17,18)19/h3-5,7-8,11H,2,6,9H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyHYCAYDPMPYLQGT-UHFFFAOYSA-N
XLogP3.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 2833446) is 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide is CCCc1nnc(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)s1.
What is the InChIKey of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is HYCAYDPMPYLQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-2-6-13-22-23-15(26-13)21-12(24)9-11(10-7-4-3-5-8-10)20-14(25)16(17,18)19/h3-5,7-8,11H,2,6,9H2,1H3,(H,20,25)(H,21,23,24).
What are the key properties of 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 386.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 2833446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).