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

C14H13F3N4O2S — CID 4641343

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1nnc(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)s1
InChIInChI=1S/C14H13F3N4O2S/c1-8-20-21-13(24-8)19-11(22)7-10(9-5-3-2-4-6-9)18-12(23)14(15,16)17/h2-6,10H,7H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyFOEZHKLSBNCHFE-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.59
Rot. Bonds5

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 4641343) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID4641343
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1nnc(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)s1
InChIInChI=1S/C14H13F3N4O2S/c1-8-20-21-13(24-8)19-11(22)7-10(9-5-3-2-4-6-9)18-12(23)14(15,16)17/h2-6,10H,7H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyFOEZHKLSBNCHFE-UHFFFAOYSA-N
XLogP2.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 4641343) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide is Cc1nnc(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is FOEZHKLSBNCHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c1-8-20-21-13(24-8)19-11(22)7-10(9-5-3-2-4-6-9)18-12(23)14(15,16)17/h2-6,10H,7H2,1H3,(H,18,23)(H,19,21,22).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 358.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 4641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).