2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

C14H13F3N4O2S2 — CID 55829286

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C14H13F3N4O2S2/c1-7(24-10-5-3-9(4-6-10)18-8(2)22)11(23)19-13-21-20-12(25-13)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyZPEKWCNOKWGAJW-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 55829286) has the molecular formula C14H13F3N4O2S2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID55829286
Molecular FormulaC14H13F3N4O2S2
Molecular Weight390.41 g/mol
Exact Mass390.04
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C14H13F3N4O2S2/c1-7(24-10-5-3-9(4-6-10)18-8(2)22)11(23)19-13-21-20-12(25-13)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyZPEKWCNOKWGAJW-UHFFFAOYSA-N
XLogP3.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 22783012
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 92528507
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide
CID 143880092
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
2-(4-acetamidophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 4968943
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 22778143
2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide
CID 55951430

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 55829286) is 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(=O)Nc1ccc(SC(C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ZPEKWCNOKWGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S2/c1-7(24-10-5-3-9(4-6-10)18-8(2)22)11(23)19-13-21-20-12(25-13)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,21,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 390.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 55829286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).