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

C14H11F3N4OS2 — CID 125434280

IUPAC(3R)-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-/m1/s1
InChIKeyWEOSBCWDWBPJCM-SNVBAGLBSA-N
MW372.40 g/mol
LogP4.04
Rot. Bonds5

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

(3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 125434280) has the molecular formula C14H11F3N4OS2 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID125434280
Molecular FormulaC14H11F3N4OS2
Molecular Weight372.40 g/mol
Exact Mass372.03
IUPAC Name(3R)-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-/m1/s1
InChIKeyWEOSBCWDWBPJCM-SNVBAGLBSA-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

Analyze (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 125434280) is (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (3R)-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 (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is WEOSBCWDWBPJCM-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
(3R)-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 (3R)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 125434280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).