(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

C14H11F3N4OS2 — CID 125434279

IUPAC(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H11F3N4OS2/c15-14(16,17)12-19-20-13(24-12)18-11(22)7-10(9-3-6-23-8-9)21-4-1-2-5-21/h1-6,8,10H,7H2,(H,18,20,22)/t10-/m0/s1
InChIKeyWEOSBCWDWBPJCM-JTQLQIEISA-N
MW372.40 g/mol
LogP4.04
Rot. Bonds5

About (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 125434279) has the molecular formula C14H11F3N4OS2 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID125434279
Molecular FormulaC14H11F3N4OS2
Molecular Weight372.40 g/mol
Exact Mass372.03
IUPAC Name(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H11F3N4OS2/c15-14(16,17)12-19-20-13(24-12)18-11(22)7-10(9-3-6-23-8-9)21-4-1-2-5-21/h1-6,8,10H,7H2,(H,18,20,22)/t10-/m0/s1
InChIKeyWEOSBCWDWBPJCM-JTQLQIEISA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 1245524
N-[5-[2-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(1-methylpyrrol-3-yl)acetamide
CID 155526425
(3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 125434280
3-(1H-Pyrrol-1-YL)-3-(3-thienyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-YL]propanamide
CID 128963544
4,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrol-1-ylthiophene-3-carboxamide
CID 60495628
2-(4-pyrrol-1-ylphenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 75416403
3-(1H-pyrrol-1-yl)-N-(1H-tetrazol-5-yl)-3-(thiophen-3-yl)propanamide
CID 121239095
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
CID 121239385
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
CID 121239840
3-(1H-pyrrol-1-yl)-N-(5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-yl)-3-(thiophen-3-yl)propanamide
CID 121240111
N-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
CID 121240195
N-(5-methyl-1,3-thiazol-2-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
CID 121240373

Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 125434279) is (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is WEOSBCWDWBPJCM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H11F3N4OS2/c15-14(16,17)12-19-20-13(24-12)18-11(22)7-10(9-3-6-23-8-9)21-4-1-2-5-21/h1-6,8,10H,7H2,(H,18,20,22)/t10-/m0/s1.
What are the key properties of (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 372.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 125434279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).